Basic information
- Standard SMILES
CC=CC(=O)C1=CC=C(C)CC1(C)C- InChIKey
XKNTVBYRXZQNMI-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
Names & identifiers
- Preferred name
- 1-(4,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
- IUPAC
- 1-(4,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
Names & synonyms
SCHEMBL3191429XKNTVBYRXZQNMI-UHFFFAOYSA-N1-(4,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
Database identifiers
- PubChem CID
- 54474429
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 327
Related reactions
2 records
Compound notes
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