chempirical

Hentriacontane

C31H64CAS 630-04-6436.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C31H64
Molar mass
436.85 g/mol
Exact mass
436.5008 Da
Melting point
67.9 °C
Boiling point
458 °C
logP
12.34Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
28

Identifiers

CAS number
630-04-6
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
IUJAMGNYPWYUPM-UHFFFAOYSA-N
InChI
InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

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Names and synonyms

2 names
  • n-Hentriacontane
  • Untriacontane

Work with Hentriacontane

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

Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar Tetracontane4181-95-7100 % similar Dotriacontane544-85-4100 % similar Octadecane593-45-3100 % similar Heptacosane593-49-7100 % similar Tridecane629-50-5100 % similar

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

Elsewhere

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