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Basic information
- Standard SMILES
CC1=CCC2(C=C(C)C(=O)C(C)=C2)CC1- InChIKey
JVYROCOJHCTFSU-UHFFFAOYSA-N- Molecular formula
- C14H18O
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.13576519
Names & identifiers
- Preferred name
- 2,4,9-Trimethylspiro[5.5]undeca-1,4,8-trien-3-one
- IUPAC
- 2,4,9-trimethylspiro[5.5]undeca-1,4,9-trien-3-one
Names & synonyms
SCHEMBL11054619JVYROCOJHCTFSU-UHFFFAOYSA-N2,4,9-trimethylspiro[5.5]undeca-1,4,8-trien-3-one
Database identifiers
- PubChem CID
- 20441069
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 372
Related reactions
1 records
Compound notes
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