chempirical

3-Methylcyclopentanone

C6H10OCAS 1757-42-298.14 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
0.8593 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

Identifiers

CAS number
1757-42-2
SMILES
CC1CCC(=O)C1
InChIKey
AOKRXIIIYJGNNU-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O/c1-5-2-3-6(7)4-5/h5H,2-4H2,1H3

Weigh 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 (±)-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 4-Isopropylcyclohexanone5432-85-946 % 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 2-Methylcyclopentanone1120-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook