4-(1-Methylethenyl)cyclohexanone
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Basic information
- CAS
22460-53-3- Standard SMILES
C=C(C)C1CCC(=O)CC1- InChIKey
YQMUZRNPCVSBEH-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 4-(1-Methylethenyl)cyclohexanone
- IUPAC
- 4-prop-1-en-2-ylcyclohexan-1-one
Names & synonyms
4-Isopropenylcyclohexanone22460-53-34-prop-1-en-2-ylcyclohexan-1-oneDTXSID20338473RefChem:10697264-(1-Methylethenyl)cyclohexanoneDTXCID80289558Cyclohexanone, 4-(1-methylethenyl)-4-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE4-isopropenyl-cyclohexanoneSCHEMBL8486388AKOS020762012
Database identifiers
- CAS
22460-53-3- PubChem CID
- 549291
- DTXSID
DTXSID20338473- Nikkaji
- J1.740.998K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Kovats Retention Index
1133
1161
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Related reactions
5 records
Compound notes
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