chempirical

Pentanal

C5H10OCAS 110-62-386.13 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
0.8095 g/mL (at 20 °C)
Melting point
−91.5 °C
Boiling point
103 °C
logP
1.38Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
110-62-3
SMILES
CCCCC=O
InChIKey
HGBOYTHUEUWSSQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Valeraldehyde
  • Valeral
  • Valeric aldehyde
  • n-Valeraldehyde
  • n-Pentanal
  • Valeric acid aldehyde
  • Pentylaldehyde
  • NSC 35404
  • Amyl aldehyde

Work with Pentanal

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

Heptanal111-71-779 % similar Decanal112-31-279 % similar Undecanal112-44-779 % similar Dodecanal112-54-979 % similar Nonanal124-19-679 % similar Myristyl aldehyde124-25-479 % similar (Z)-11-Hexadecenal53939-28-976 % similar Butyraldehyde123-72-867 % similar

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

Same formula

2-Pentanone107-87-9 2-Methyl-3-buten-2-ol115-18-4 Tetrahydropyran142-68-7 (+-)-3-Penten-2-ol1569-50-2 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