3,5-Cyclocholestan-7-one
Basic information
- CAS
19317-98-7- Standard SMILES
CC(C)CCCC(C)C1CCC2C3C(=O)CC45CC4CCC5(C)C3CCC12C- InChIKey
KGTGAUJFXDUVPW-UHFFFAOYSA-N- Molecular formula
- C27H44O
- Average molar mass
- 384.6 g/mol
- Monoisotopic mass
- 384.33921602
Names & identifiers
- Preferred name
- 3,5-Cyclocholestan-7-one
- IUPAC
- 2,15-dimethyl-14-(6-methylheptan-2-yl)pentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-9-one
Names & synonyms
19317-98-73,5-cyclocholestan-7-oneNSC134919DTXSID00940992NSC-134919
Database identifiers
- CAS
19317-98-7- PubChem CID
- 281909
- DTXSID
DTXSID00940992
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 651
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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