2-Methyl-3-hexanone

C₇H₁₄OCAS 7379-12-6114.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₄O
Molar mass: 114.19 g/mol
Exact mass: 114.1045 Da
Density: 0.8216 g/mL (at 15 °C)
Boiling point: 135 °C
logP: 2.01Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

7379-12-6

SMILES

CCCC(=O)C(C)C

InChIKey

HIGGFWFRAWSMBR-UHFFFAOYSA-N

InChI

InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

3-Hexanone, 2-methyl-
Isopropyl propyl ketone
Propyl isopropyl ketone

Work with 2-Methyl-3-hexanone

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-Methyl-3-heptanone13019-20-074 % similar Ethyl isopropyl ketone565-69-557 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-655 % similar 2-Ethyl-1,3-cyclopentanedione823-36-944 % similar Isopropyl butanoate638-11-941 % similar Propyl isobutyrate644-49-541 % similar 2-Pentanone107-87-940 % similar Methyl 4-methyl-3-oxopentanoate42558-54-340 % similar

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

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 1-Ethylcyclopentanol1462-96-0 2,3-Dimethylpentanal32749-94-3

Elsewhere

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