chempirical

(±)-2-Methylpentanal

C6H12OCAS 123-15-9100.16 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C6H12O
Molar mass
100.16 g/mol
Exact mass
100.0888 Da
Density
0.81 g/mL
Boiling point
117 °C
logP
1.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
123-15-9
SMILES
CCCC(C)C=O
InChIKey
FTZILAQGHINQQR-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Pentanal, 2-methyl-
  • Valeraldehyde, 2-methyl-
  • 2-Methylpentanal
  • 2-Methylvaleraldehyde
  • α-Methylpentanal
  • 2-Formylpentane
  • 2-Methylvaleric aldehyde
  • NSC 49351
  • α-Methylvaleraldehyde

Work with (±)-2-Methylpentanal

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

Same formula

Methyl isobutyl ketone108-10-1 Cyclohexanol108-93-0 Isobutyl vinyl ether109-53-5 Butyl vinyl ether111-34-2 2-Butyloxirane1436-34-6 1-Methylcyclopentanol1462-03-9 3-Propoxy-1-propene1471-03-0 3,3-Dimethylbutanal2987-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook