chempirical

2-Methylbutanal

C5H10OCAS 96-17-386.13 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C5H10O
Molar mass
86.13 g/mol
Exact mass
86.0732 Da
Density
0.8131 g/mL (at 20 °C)
Melting point
91 °C
Boiling point
92–93 °C
logP
1.23Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
96-17-3
SMILES
CCC(C)C=O
InChIKey
BYGQBDHUGHBGMD-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Butanal, 2-methyl-
  • Butyraldehyde, 2-methyl-
  • Butyraldehyde, α-methyl-
  • α-Methylbutanal
  • α-Methylbutyraldehyde
  • 2-Methylbutyraldehyde
  • 2-Methylbutyric aldehyde
  • α-Methylbutyric aldehyde
  • 2-Formylbutane
  • α-Methyl-n-butanal
  • 2-Ethylpropanal
  • (RS)-2-Methylbutanal
  • (±)-2-Methylbutanal
  • NSC 77077
  • (±)-2-Methylbutyraldehyde

Work with 2-Methylbutanal

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-Methylpentanal123-15-957 % similar 2-Ethylbutanal97-96-152 % similar 2-Methylundecanal110-41-848 % similar 2,3-Dimethylpentanal32749-94-348 % similar 3-Methyl-1-pentene760-20-348 % similar 3-Mercapto-2-methylpentanal227456-28-244 % similar (±)-2,6-Dimethyl-5-heptenal106-72-941 % similar 2-Ethylhexanal123-05-739 % similar

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

Same formula

2-Pentanone107-87-9 Pentanal110-62-3 2-Methyl-3-buten-2-ol115-18-4 Tetrahydropyran142-68-7 cis-2-Penten-1-ol1576-95-0 2-Cyclopropylethanol2566-44-1 Cyclobutanemethanol4415-82-1 Prenol556-82-1

Elsewhere

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