3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
Basic information
- CAS
10407-30-4- Standard SMILES
O=C1CCC2CCCCCC12- InChIKey
KOHZFTUBIQKPNF-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
- IUPAC
- 3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one
Names & synonyms
3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-one10407-30-4octahydro-1(2H)-azulenoneOctahydroazulen-1(2H)-oneDTXSID20499477
Database identifiers
- CAS
10407-30-4- PubChem CID
- 12469072
- DTXSID
DTXSID20499477
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
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Compound notes
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