1,4-Methanoazulenone, decahydro-3(or 9)-hydroxy-1,5,5,8a-tetramethyl-
Basic information
- CAS
95648-62-7- Standard SMILES
CC1(C)CCCC2(C)C3C(O)C(=O)C2(C)CC31- InChIKey
JESHUHCSTJFUIW-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Names & identifiers
- Preferred name
- 1,4-Methanoazulenone, decahydro-3(or 9)-hydroxy-1,5,5,8a-tetramethyl-
- IUPAC
- 11-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-10-one
Names & synonyms
95648-62-71,4-Methanoazulenone, decahydro-3(or 9)-hydroxy-1,5,5,8a-tetramethyl-DTXSID809148933-hydroxy-1,5,5,8a-tetramethyloctahydro-1,4-methanoazulen-2(1H)-one
Database identifiers
- CAS
95648-62-7- PubChem CID
- 178785
- DTXSID
DTXSID80914893
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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