Basic information
- CAS
56772-10-2- Standard SMILES
CC(=O)CC1C(=O)C(C)CCC1C(C)C- InChIKey
DWRDTMAMSCXIHP-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- 3-Isopropyl-6-methyl-2-(2-oxopropyl)cyclohexanone
- IUPAC
- 6-methyl-2-(2-oxopropyl)-3-propan-2-ylcyclohexan-1-one
- English name
- 6-Methyl-3-(1-methylethyl)-2-(2-oxopropyl)cyclohexanone
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
3-Isopropyl-6-methyl-2-(2-oxopropyl)cyclohexanoneDTXSID7033963756772-10-2RefChem:280158DTXCID102907186-Methyl-3-(1-methylethyl)-2-(2-oxopropyl)cyclohexanoneDWRDTMAMSCXIHP-UHFFFAOYSA-N6-methyl-2-(2-oxopropyl)-3-(propan-2-yl)cyclohexan-1-oneCyclohexanone, 6-methyl-3-(1-methylethyl)-2-(2-oxopropyl)-DB-3071553-Isopropyl-6-methyl-2-(2-oxopropyl)cyclohexanone #
Database identifiers
- CAS
56772-10-2- PubChem CID
- 557476
- DTXSID
DTXSID70339637- Nikkaji
- J114.464B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 302.6 · 302.6±15.0 °C(Predicted)
- Density
- 0.929 · 0.929±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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