2-Methyl-1-(2,2,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
Basic information
- CAS
68555-94-2- Standard SMILES
CCC(=O)/C(C)=C/C1C(C)CC=CC1(C)C- InChIKey
VWXJSOKBCDRKAL-ZRDIBKRKSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- 2-Methyl-1-(2,2,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
- IUPAC
- (E)-2-methyl-1-(2,2,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
Names & synonyms
SCHEMBL35040212-Methyl-1-(2,2,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
Database identifiers
- CAS
68555-94-2- PubChem CID
- 6437469
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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