Basic information
- CAS
40050-37-1- Standard SMILES
O=C1C=C2CCCCCCCCCCC2CC1- InChIKey
OBRHPKKTTCLTFD-UHFFFAOYSA-N- Molecular formula
- C16H26O
- Average molar mass
- 234.38 g/mol
- Monoisotopic mass
- 234.19836545
Names & identifiers
- Preferred name
- 2,5,6,7,8,9,10,11,12,13,14,14a-dodecahydro-1H-benzo[12]annulen-3-one
- IUPAC
- 2,5,6,7,8,9,10,11,12,13,14,14a-dodecahydro-1H-benzo[12]annulen-3-one
Names & synonyms
40050-37-1NSC3581772,5,6,7,8,9,10,11,12,13,14,14a-dodecahydro-1H-benzo[12]annulen-3-oneDTXSID40320335NSC-3581774,4a,5,6,7,8,9,10,11,12,13,14-Dodecahydrobenzo[12]annulen-2(3H)-one
Database identifiers
- CAS
40050-37-1- PubChem CID
- 337933
- DTXSID
DTXSID40320335
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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