chempirical

2-Methylcyclopentanone

C6H10OCAS 1120-72-598.14 g/mol

Open in Covalent MOL file
O
Ketone

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

Identifiers

CAS number
1120-72-5
SMILES
CC1CCCC1=O
InChIKey
ZIXLDMFVRPABBX-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3

Weigh 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 2,6-Dimethylcyclohexanone2816-57-150 % similar 2-Acetylcyclopentanone1670-46-846 % similar 2-Chlorocyclopentanone694-28-046 % similar 2-Cyclopentylcyclopentanone4884-24-644 % similar 2-Hexylcyclopentanone13074-65-243 % similar 2-Heptylcyclopentanone137-03-143 % similar 1,3-Dimethyl-4-piperidone4629-80-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Hexyn-1-ol1002-28-4 2-(3-Buten-1-yl)oxirane10353-53-4 1-Hexyn-3-ol105-31-7 Cyclohexanone108-94-1 5-Hexen-2-one109-49-9 3-Hexyn-2-ol109-50-2 2,4-Hexadien-1-ol111-28-4 (2R)-2-(3-Buten-1-yl)oxirane137688-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook