4-Methyl-3-cyclohexenyl 4-methyl-3-pentenyl ketone
Basic information
- CAS
76280-88-1- Standard SMILES
CC(C)=CCCC(=O)C1CC=C(C)CC1- InChIKey
BUSKKOPCEZGTQK-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 4-Methyl-3-cyclohexenyl 4-methyl-3-pentenyl ketone
- IUPAC
- 5-methyl-1-(4-methylcyclohex-3-en-1-yl)hex-4-en-1-one
Names & synonyms
4-Methyl-3-cyclohexenyl 4-methyl-3-pentenyl ketone76280-88-15-methyl-1-(4-methyl-3-cyclohexen-1-yl)-4-hexen-1-oneDTXSID8013620555-methyl-1-(4-methyl-1-cyclohex-3-enyl)-hex-4-en-1-one
Database identifiers
- CAS
76280-88-1- PubChem CID
- 10104449
- DTXSID
DTXSID801362055- Nikkaji
- J46.886J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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