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Basic information
- Standard SMILES
CC(=O)O[C@H]1C=CC(=O)C(C)CC1C- InChIKey
FJGQPWPVHHSYPI-AYVLWNQUSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- [(1R)-5,7-dimethyl-4-oxocyclohept-2-en-1-yl] acetate
- IUPAC
- [(1R)-5,7-dimethyl-4-oxocyclohept-2-en-1-yl] acetate
Names & synonyms
NSC620057NSC-620057NCI60_005935
Database identifiers
- PubChem CID
- 359307
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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