Record Information
Version1.0
Creation Date2016-05-19 04:06:52 UTC
Update Date2016-11-09 01:14:42 UTC
Accession NumberCHEM013050
Identification
Common Name2,4,6,8,10-Pentamethylcyclopentasiloxane
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • HPV EPA Chemicals
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
SynonymsNot Available
Chemical FormulaC5H15O5Si5
Average Molecular Mass295.595 g/mol
Monoisotopic Mass294.977 g/mol
CAS Registry Number6166-86-5
IUPAC Namepentamethyl-6,8-dihydro-4H-1lambda4,3lambda4,5,7,9,2,4,6,8,10-pentaoxapentasilecine-1,3-bis(ylium)-4,6-diid-8-yl
Traditional Namepentamethyl-8,10-dihydro-6H-1lambda4,3lambda4,5,7,9,2,4,6,8,10-pentaoxapentasilecine-1,3-bis(ylium)-8,10-diid-6-yl
SMILESC[Si]1O[Si-](C)O[Si-](C)[O+]=[Si](C)[O+]=[Si](C)O1
InChI IdentifierInChI=1S/C5H15O5Si5/c1-11-6-12(2)8-14(4)10-15(5)9-13(3)7-11/h1-5H3
InChI KeyPUNGSQUVTIDKNU-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
KingdomOrganic compounds
Super ClassOrganic salts
ClassOrganic metal salts
Sub ClassOrganic metalloid salts
Direct ParentOrganic metalloid salts
Alternative Parents
Substituents
  • Organic metalloid salt
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organosilicon compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility6.59 g/LALOGPS
logP2.62ALOGPS
logP0.21ChemAxon
logS-1.7ALOGPS
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area95.97 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity36.48 m³·mol⁻¹ChemAxon
Polarizability23.5 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0090000000-dad455237a22e878d5edSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0090000000-e4f743200d60f38c616aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01qa-1090000000-adcbc7dcbef4bf6eb55aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0090000000-e5c8f9812434bb1c3045Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0090000000-291d6e3ffcaa8724df78Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004l-1090000000-7c470e3faab5c80e7e3eSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID6327588
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available