chempirical

Isovaleraldehyde

C5H10OCAS 590-86-386.13 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
0.7977 g/mL (at 20 °C)
Melting point
−51 °C
Boiling point
92.5 °C
logP
1.23Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
590-86-3
SMILES
CC(C)CC=O
InChIKey
YGHRJJRRZDOVPD-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • Butanal, 3-methyl-
  • Butyraldehyde, 3-methyl-
  • 3-Methylbutanal
  • Isopentanal
  • Isovaleral
  • Isovaleric aldehyde
  • β-Methylbutanal
  • 3-Methylbutyraldehyde
  • Isoamylaldehyde
  • iso-Valeraldehyde
  • 3-Methyl-1-butanal
  • NSC 404119

Work with Isovaleraldehyde

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-Methylpentanedial6280-15-558 % similar 3-Hydroxybutanal107-89-150 % similar 3-(Methylthio)butanal16630-52-746 % similar 12-Methyltridecanal75853-49-544 % similar 4-Methyl-1-pentene691-37-243 % similar 3,5,5-Trimethylhexanal5435-64-342 % similar 2-Isopropyl-5-methyl-2-hexenal35158-25-941 % similar Digitoxose527-52-639 % 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

PubChem CAS Common Chemistry NIST WebBook Wikipedia