Basic information
- CAS
16084-17-6- Standard SMILES
O=C1CCCCCC2(O)CCCCC12- InChIKey
HNJAYISDTLYHBO-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 10a-Hydroxydecahydrobenzo[8]annulen-5(1h)-one
- IUPAC
- 10a-hydroxy-1,2,3,4,4a,6,7,8,9,10-decahydrobenzo[8]annulen-5-one
Names & synonyms
16084-17-610a-hydroxydecahydrobenzo[8]annulen-5(1h)-oneNSC135353DTXSID60300199AKOS024329156NSC-13535310a-hydroxydecahydrobenzo[a]cycloocten-5(1H)-one
Database identifiers
- CAS
16084-17-6- PubChem CID
- 282173
- DTXSID
DTXSID60300199
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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