1,4,5,6,7-Pentamethylbicyclo[3.2.0]hepta-3,6-dien-2-one
Basic information
- CAS
15971-77-4- Standard SMILES
CC1=CC(=O)C2(C)C(C)=C(C)C12C- InChIKey
FZNJZNVVPAGUNB-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 1,4,5,6,7-Pentamethylbicyclo[3.2.0]hepta-3,6-dien-2-one
- IUPAC
- 1,4,5,6,7-pentamethylbicyclo[3.2.0]hepta-3,6-dien-2-one
Names & synonyms
MLS00291985215971-77-41,4,5,6,7-pentamethylbicyclo[3.2.0]hepta-3,6-dien-2-oneNSC125874DTXSID00298763NSC-125874SMR001797452
Database identifiers
- CAS
15971-77-4- PubChem CID
- 277264
- DTXSID
DTXSID00298763
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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