Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- (CHEM072523)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 06:55:21 UTC | ||||||||
| Update Date | 2026-08-22 19:37:53 UTC | ||||||||
| Accession Number | CHEM072523 | ||||||||
| Identification | |||||||||
| Common Name | Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- | ||||||||
| Class | Small Molecule | ||||||||
| Description | Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. It is classified under the superclass of lipids and lipid-like molecules and has the formula C57H116O3. With an average molecular weight of 849.55 g/mol, Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris- is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C57H116O3 | ||||||||
| Average Molecular Mass | 849.552 g/mol | ||||||||
| Monoisotopic Mass | 848.892 g/mol | ||||||||
| CAS Registry Number | 6076-42-2 | ||||||||
| IUPAC Name | 1-(2,3-dioctadecoxypropoxy)octadecane | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC | ||||||||
| InChI Identifier | InChI=1S/C57H116O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-55-57(60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3 | ||||||||
| InChI Key | YEOQJOVGXZYQOZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | belongs to the class of organic compounds known as trialkylglycerols. These are triradylglycerols that carry three chains attached to the glycerol moiety through ether linkages. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||
| Class | Glycerolipids | ||||||||
| Sub Class | Triradylcglycerols | ||||||||
| Direct Parent | Trialkylglycerols | ||||||||
| Alternative Parents | |||||||||
| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 80176 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
