Basic information
- Standard SMILES
C=CCC1C(=O)CC(C)CC1=O- InChIKey
PUNWGPBNWYTSNJ-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
Names & identifiers
- Preferred name
- 2-Allyl-5-methyl-1,3-cyclohexanedione
- IUPAC
- 5-methyl-2-prop-2-enylcyclohexane-1,3-dione
Names & synonyms
SCHEMBL11431438PUNWGPBNWYTSNJ-UHFFFAOYSA-N2-allyl-5-methyl-1,3-cyclohexanedione
Database identifiers
- PubChem CID
- 12229652
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Related reactions
13 records
Compound notes
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