1-(2-Methyl-5-(1-methylethyl)cyclohexyl)propan-1-one
Basic information
- CAS
71617-13-5- Standard SMILES
CCC(=O)C1CC(C(C)C)CCC1C- InChIKey
WRFTWUYODLYHDR-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- 1-(2-Methyl-5-(1-methylethyl)cyclohexyl)propan-1-one
- IUPAC
- 1-(2-methyl-5-propan-2-ylcyclohexyl)propan-1-one
- English name
- 1-[2-methyl-5-(1-methylethyl)cyclohexyl]propan-1-one
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
71617-13-5EINECS 275-705-11-(2-Methyl-5-(1-methylethyl)cyclohexyl)propan-1-oneNSC462571-[2-Methyl-5-(propan-2-yl)cyclohexyl]propan-1-oneDTXSID90992182WRFTWUYODLYHDR-UHFFFAOYSA-NNSC-46257AKOS015965113NS000616441-Isopropyl-3-propanoyl-4-methylcyclohexane1-(3-Isopropyl-6-methylcyclohexyl)-1-propanone
Show more names
1-[2-methyl-5-(1-methylethyl)cyclohexyl]propan-1-one1-Propanone, 1-[2-methyl-5-(1-methylethyl)cyclohexyl]-
Database identifiers
- CAS
71617-13-5- PubChem CID
- 240197
- DTXSID
DTXSID90992182- EC Number
- 275-705-1
- Nikkaji
- J87.286E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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