2-Methylcyclopentanone
Properties
- Molecular formula
- C6H10O
- Molar mass
- 98.14 g/mol
- Exact mass
- 98.0732 Da
- Density
- 0.9189 g/mL (at 20 °C)
- Melting point
- −75 °C
- Boiling point
- 139.5 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
1120-72-5SMILES
CC1CCCC1=OInChIKey
ZIXLDMFVRPABBX-UHFFFAOYSA-NInChI
InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Cyclopentanone, 2-methyl-
- Cyclopentanone, 2-methyl-, (±)-
- α-Methylcyclopentanone
- 2-Methylcyclopentan-1-one
- (±)-2-Methylcyclopentanone
- NSC 105429
Work with 2-Methylcyclopentanone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-Methylcyclohexanone583-60-886 % similar
2-Methyl-1,3-cyclohexanedione1193-55-150 % similar
2,6-Dimethylcyclohexanone2816-57-150 % similar
2-Acetylcyclopentanone1670-46-846 % similar
3-Methyl-4-piperidone5773-58-046 % similar
2-Bromocyclopentanone21943-50-046 % similar
2-Chlorocyclopentanone694-28-046 % similar
(S)-2-Methoxycyclohexanone155320-76-645 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.