2-Methyl-3-heptanone

C₈H₁₆OCAS 13019-20-0128.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆O
Molar mass: 128.21 g/mol
Exact mass: 128.1201 Da
Density: 0.816 g/mL (at 20 °C)
Boiling point: 158 °C
logP: 2.40Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

13019-20-0

SMILES

CCCCC(=O)C(C)C

InChIKey

XYYMFUCZDNNGFS-UHFFFAOYSA-N

InChI

InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

4 names

3-Heptanone, 2-methyl-
NSC 21978
Butyl isopropyl ketone
6-Methyl-5-heptanone

Work with 2-Methyl-3-heptanone

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-hexanone7379-12-674 % similar Ethyl isopropyl ketone565-69-552 % similar 2-Hexylcyclopentanone13074-65-250 % similar 2-Heptylcyclopentanone137-03-150 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-650 % similar 5-Nonanone502-56-748 % similar Butyl isobutyrate97-87-045 % similar 2-Hexanone591-78-644 % similar

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

Same formula

3-Octanone106-68-3 2-Octanone111-13-7 1-Cyclohexylethanol1193-81-3 2-Ethylhexanal123-05-7 Octanal124-13-0 2,2,5,5-Tetramethyltetrahydrofuran15045-43-9 (E)-2-Octen-1-ol18409-17-1 1-Ethylcyclohexanol1940-18-7

Elsewhere

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