Basic information
- CAS
54549-81-4- Standard SMILES
CC(C)C1CCC(=O)C1C- InChIKey
VWBCFESGRRREEF-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Overview
3-Isopropyl-2-methylcyclopentanone is a cyclic ketone.
Names & identifiers
- Preferred name
- 2-Methyl-3-isopropylcyclopentanone
- IUPAC
- 2-methyl-3-propan-2-ylcyclopentan-1-one
- English name
- 2-Methyl-3-(1-methylethyl)cyclopentanone
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
54549-81-42-METHYL-3-ISOPROPYLCYCLOPENTANONE2-methyl-3-propan-2-ylcyclopentan-1-one2-Methyl-3-(1-methylethyl)cyclopentanone2-methyl-3-(propan-2-yl)cyclopentan-1-oneCyclopentanone, 2-methyl-3-(1-methylethyl)-SCHEMBL13774852DTXSID80969782CHEBI:167369VWBCFESGRRREEF-UHFFFAOYSA-N3-Isopropyl-2-methylcyclopentanone3-Isopropyl-2-methylcyclopentanone #
Show more names
AKOS014239457DB-303475
Database identifiers
- CAS
54549-81-4- PubChem CID
- 41124
- DTXSID
DTXSID80969782- ChEBI
CHEBI:167369- Nikkaji
- J113.930D
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 138
Physicochemical properties
- Boiling point
- 188.2 · 188.2±8.0 °C(Predicted)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-Isopropyl-2-methylcyclopentanone is a cyclic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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