chempirical

Hexanedial

C6H10O2CAS 1072-21-5114.14 g/mol

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OO
Aldehyde

Properties

Molecular formula
C6H10O2
Molar mass
114.14 g/mol
Exact mass
114.0681 Da
Density
1.003 g/mL (at 19 °C)
Melting point
−8 °C
Boiling point
68–70 °C (at 3 Torr)
logP
0.94Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
1072-21-5
SMILES
O=CCCCCC=O
InChIKey
UMHJEEQLYBKSAN-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

8 names
  • Adipaldehyde
  • Adipic dialdehyde
  • Hexanedialdehyde
  • Adipodialdehyde
  • 1,4-Butane dicarboxaldehyde
  • Adipic aldehyde
  • 1,6-Hexanedial
  • Adipindialdehyde

Work with Hexanedial

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Glutaraldehyde111-30-883 % similar Succinaldehyde638-37-967 % similar Hexanal66-25-165 % similar Tridecanal10486-19-861 % similar Heptanal111-71-761 % similar Decanal112-31-261 % similar Undecanal112-44-761 % similar 10-Undecenal112-45-861 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexane-2,5-dione110-13-4 β-Methyl-δ-valerolactone1121-84-2 2-Hexenoic acid1191-04-4 2-Methyl-tetrahydropyran-4-one1193-20-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook