chempirical

(Rs)-3-methylcyclohexanone

C7H12OCAS 591-24-2112.17 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Density
0.9406 g/mL (at 0 °C)
Melting point
168 °C
Boiling point
169.5 °C
logP
1.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
591-24-2
SMILES
CC1CCCC(=O)C1
InChIKey
UJBOOUHRTQVGRU-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Cyclohexanone, 3-methyl-
  • 3-Methylcyclohexanone
  • 3-Methyl-1-cyclohexanone
  • (±)-3-Methylcyclohexanone
  • NSC 3709

Work with (Rs)-3-methylcyclohexanone

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

(±)-Muscone541-91-383 % similar 3-Methylcyclopentanone1757-42-274 % similar 4-Methylcyclohexanone589-92-452 % similar 2,6,8-Trimethyl-4-nonanone123-18-243 % similar 5-Methyl-3-heptanone541-85-543 % similar Ethyl 3-oxocyclohexanecarboxylate33668-25-643 % similar (±)-3-Methyladipic acid3058-01-342 % similar 3,3,5-Trimethylcyclohexanone873-94-941 % similar

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

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8 Cyclohexanecarboxaldehyde2043-61-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook