Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 03:03:03 UTC |
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Update Date | 2016-11-09 01:13:58 UTC |
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Accession Number | CHEM009336 |
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Identification |
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Common Name | 1,5-Dioxaspiro[5.5]undecane-3,3-dicarboxylic acid, 3,3-bis(2,2,6,6-tetramethyl-4-piperidinyl) ester |
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Class | Small Molecule |
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Description | |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Not Available |
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Chemical Formula | C29H50N2O6 |
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Average Molecular Mass | 522.727 g/mol |
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Monoisotopic Mass | 522.367 g/mol |
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CAS Registry Number | 110843-97-5 |
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IUPAC Name | 3,3-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-3,3-dicarboxylate |
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Traditional Name | 3,3-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1,5-dioxaspiro[5.5]undecane-3,3-dicarboxylate |
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SMILES | CC1(C)CC(CC(C)(C)N1)OC(=O)C1(COC2(CCCCC2)OC1)C(=O)OC1CC(C)(C)NC(C)(C)C1 |
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InChI Identifier | InChI=1S/C29H50N2O6/c1-24(2)14-20(15-25(3,4)30-24)36-22(32)28(18-34-29(35-19-28)12-10-9-11-13-29)23(33)37-21-16-26(5,6)31-27(7,8)17-21/h20-21,30-31H,9-19H2,1-8H3 |
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InChI Key | HDFZSCWOTBYTQF-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Ethers |
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Direct Parent | Ketals |
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Alternative Parents | |
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Substituents | - Ketal
- Piperidine
- Dicarboxylic acid or derivatives
- Meta-dioxane
- Carboxylic acid ester
- Amino acid or derivatives
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Secondary aliphatic amine
- Carboxylic acid derivative
- Organic nitrogen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organonitrogen compound
- Carbonyl group
- Amine
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-05fr-8505590000-649a96f88cadbba25d7b | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a4m-9622810000-b61aec5661642ec0cc09 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052f-9100000000-5c60b2d94164cd444953 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-00di-0202490000-bde447ab249a09641536 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9501100000-2773e4f533a0a4b554be | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4m-3913000000-cc982f9c970ea960e758 | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | 44148356 |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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