Basic information
- CAS
31239-51-7- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC(=O)OC45CC4CCC5(C)C3CCC12C- InChIKey
PKSAFOOJKHNFPU-UHFFFAOYSA-N- Molecular formula
- C27H44O2
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.33413064
Names & identifiers
- Preferred name
- 3a,5a-Dimethyl-6-(6-methylheptan-2-yl)tetradecahydrocyclopropa[1,5]cyclopenta[1,2-b]indeno[5,4-d]oxepin-10(1h)-one
- IUPAC
- 2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.05,7.012,16]octadecan-9-one
Names & synonyms
31239-51-7NSC1407923a,5a-dimethyl-6-(6-methylheptan-2-yl)tetradecahydrocyclopropa[1,5]cyclopenta[1,2-b]indeno[5,4-d]oxepin-10(1h)-oneDTXSID00953305NSC-140792
Database identifiers
- CAS
31239-51-7- PubChem CID
- 284652
- DTXSID
DTXSID00953305
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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