Cholesteryl dodecyl carbonate
Basic information
- CAS
15455-85-3- Standard SMILES
CCCCCCCCCCCCOC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1- InChIKey
PKYYPLNVJTUARH-UHFFFAOYSA-N- Molecular formula
- C40H70O3
- Average molar mass
- 599 g/mol
- Monoisotopic mass
- 598.53249609
Names & identifiers
- Preferred name
- Cholesteryl dodecyl carbonate
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecyl carbonate
- English name
- Cholesterol lauryl carbonate
- Molecular formula
- C40H70O3
- Molecular weight
- 598.98
Names & synonyms
Cholesteryl dodecyl carbonateCholesterol, dodecyl carbonateCholest-5-en-3-ol (3.beta.)-, dodecyl carbonateC40H70O3cholest-5-en-3-yl dodecyl carbonateNSC 152105Cholest-5-en-3-ol (3beta)-, dodecyl carbonateDTXSID10935011NSC152105NSC-152105[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecyl carbonatedodecylcarbonate
Show more names
CHOLESTERYL DODECYLCARBONATECHOLESTERYL LAURYL CARBONATECholesterol lauryl carbonateCholesterol Dodecyl CarbonateCHOLESTEROL N-DODECYL CARBONATE5-CHOLESTEN-3BETA-OL 3-DODECYLCARBONATECholesterol carbonic acid dodecyl esterCarbonic acid 3β-cholesteryl dodecyl ester
Database identifiers
- CAS
15455-85-3- PubChem CID
- 85849
- DTXSID
DTXSID10935011
Properties
Computed structural properties
- XLogP
- 15.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 877
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- EPA Substance Registry System
- -5 · Cholest-5-en-3-ol (3.beta.)-, dodecyl carbonate (15455-85-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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