4-Methylcyclohexanone

C₇H₁₂OCAS 589-92-4112.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₂O
Molar mass: 112.17 g/mol
Exact mass: 112.0888 Da
Density: 0.9132 g/mL (at 20 °C)
Melting point: −40.6 °C
Boiling point: 170 °C
logP: 1.77Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

589-92-4

SMILES

CC1CCC(=O)CC1

InChIKey

VGVHNLRUAMRIEW-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexanone, 4-methyl-
4-Methyl-1-cyclohexanone
NSC 3816

Work with 4-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

3-Methylcyclopentanone1757-42-271 % similar 4-Isopropylcyclohexanone5432-85-957 % similar (Rs)-3-methylcyclohexanone591-24-252 % similar 4-Ethylcyclohexanone5441-51-050 % similar (±)-Muscone541-91-348 % similar 4-Propylcyclohexanone40649-36-348 % similar 4-Hydroxycyclohexanone13482-22-948 % similar 4-[2-(trans-4-Propylcyclohexyl)ethyl]cyclohexanone117923-32-746 % 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

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