2-(Hydroxymethylene)-3-methyl-6-(1-methylethyl)cyclohexanone
Basic information
- CAS
50421-83-5- Standard SMILES
CC1CCC(C(C)C)C(=O)C1=CO- InChIKey
YIQAYHQJSPWHMX-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- 2-(Hydroxymethylene)-3-methyl-6-(1-methylethyl)cyclohexanone
- IUPAC
- 2-(hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
Names & synonyms
50421-83-52-(Hydroxymethylene)-6-(isopropyl)-3-methylcyclohexan-1-oneDTXSID001184570DB-260151NS000575432-(Hydroxymethylene)-3-methyl-6-(1-methylethyl)cyclohexanone2-(hydroxymethylidene)-3-methyl-6-(propan-2-yl)cyclohexan-1-one
Database identifiers
- CAS
50421-83-5- PubChem CID
- 587640
- DTXSID
DTXSID001184570
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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