chempirical

Octacosane

C28H58CAS 630-02-4394.77 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C28H58
Molar mass
394.77 g/mol
Exact mass
394.4539 Da
Melting point
64.5 °C
Boiling point
431.6 °C
logP
11.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
25

Identifiers

CAS number
630-02-4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
ZYURHZPYMFLWSH-UHFFFAOYSA-N
InChI
InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

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

Names and synonyms

2 names
  • n-Octacosane
  • NSC 5549

Work with Octacosane

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

PubChem CAS Common Chemistry NIST WebBook