3-Methylcyclopentanone
Properties
- Molecular formula
- C6H10O
- Molar mass
- 98.14 g/mol
- Exact mass
- 98.0732 Da
- Density
- 0.8593 g/mL (at 81.8 °C)
- Melting point
- 57.5–59.5 °C
- Boiling point
- 143 °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
1757-42-2SMILES
CC1CCC(=O)C1InChIKey
AOKRXIIIYJGNNU-UHFFFAOYSA-NInChI
InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Cyclopentanone, 3-methyl-
- 3-Methyl-1-cyclopentanone
- 1-Methyl-3-cyclopentanone
- (±)-3-Methylcyclopentanone
- NSC 25212
Work with 3-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
(RS)-3-Methylcyclohexanone591-24-274 % similar
4-Methylcyclohexanone589-92-471 % similar
(±)-Muscone541-91-368 % similar
5-Methylcyclohexane-1,3-dione4341-24-657 % similar
(+-)-3-Methyladipic acid3058-01-350 % similar
Pulegone89-82-747 % similar
2,6,8-Trimethyl-4-nonanone123-18-246 % similar
5-Methyl-3-heptanone541-85-546 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.