4-(3,5,6-Trimethylcyclohex-3-en-1-yl)but-3-en-2-one
Basic information
- CAS
67801-39-2- Standard SMILES
CC(=O)C=CC1CC(C)=CC(C)C1C- InChIKey
DGFJDZRKSVHFAM-UHFFFAOYSA-N- Molecular formula
- C13H20O
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.15141526
Names & identifiers
- Preferred name
- 4-(3,5,6-Trimethylcyclohex-3-en-1-yl)but-3-en-2-one
- IUPAC
- 4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one
Names & synonyms
SCHEMBL33742984-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-oneDGFJDZRKSVHFAM-UHFFFAOYSA-NNS00013272
Database identifiers
- CAS
67801-39-2- PubChem CID
- 97764
- DTXSID
DTXSID70867344
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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