3-Methyl-2-pentanone

C₆H₁₂OCAS 565-61-7100.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O
Molar mass: 100.16 g/mol
Exact mass: 100.0888 Da
Density: 0.8145 g/mL (at 15 °C)
Boiling point: 118 °C
logP: 1.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

565-61-7

SMILES

CCC(C)C(C)=O

InChIKey

UIHCLUNTQKBZGK-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

sec-Butyl methyl ketone
Methyl 1-methylpropyl ketone
(±)-3-Methyl-2-pentanone
NSC 66492
2-Pentanone, 3-methyl-
Methyl sec-butyl ketone

Work with 3-Methyl-2-pentanone

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-Ethyl-2,4-pentanedione1540-34-757 % similar 2-Methylbutanoic acid116-53-050 % similar (+)-2-Methylbutanoic acid1730-91-250 % similar 2-Methylbutanoic acid600-07-750 % similar 3-Mercapto-2-pentanone67633-97-050 % similar 2,3-Dimethyl-1-pentene3404-72-648 % similar (±)-Methyl 2-methylbutanoate868-57-546 % similar (±)-3-Methyl-2-oxovaleric acid1460-34-045 % similar

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 (±)-2-Methylpentanal123-15-9 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0

Elsewhere

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