4,4-Dimethylcholest-5-en-3-ol
Basic information
- CAS
1253-88-9- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4C(C)(C)C(O)CCC4(C)C3CCC12C- InChIKey
DASOUCLGLBPXLC-UHFFFAOYSA-N- Molecular formula
- C29H50O
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.38616621
Names & identifiers
- Preferred name
- 4,4-Dimethylcholest-5-en-3-ol
- IUPAC
- 4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Names & synonyms
4,4-Dimethylcholest-5-en-3beta-ol4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol4,4-Dimethylcholest-5-en-3-olNSC132035DTXSID90925076AKOS024434763NSC-132035Cholest-5-en-3.beta.-ol,4-dimethyl-4,4-DIMETHYL-5-CHOLESTEN-3-OLCholest-5-en-3-ol,4-dimethyl-, (3.beta.)-
Database identifiers
- CAS
1253-88-9- PubChem CID
- 280427
- DTXSID
DTXSID90925076
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
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Compound notes
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