chempirical

Dotriacontane

C32H66CAS 544-85-4450.88 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C32H66
Molar mass
450.88 g/mol
Exact mass
450.5165 Da
Density
0.9162 g/mL (at 60 °C)
Melting point
69.7 °C
Boiling point
467 °C
logP
12.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
29

Identifiers

CAS number
544-85-4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIKey
QHMGJGNTMQDRQA-UHFFFAOYSA-N
InChI
InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

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Names and synonyms

3 names
  • Bicetyl
  • n-Dotriacontane
  • NSC 6361

Work with Dotriacontane

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

Octane111-65-9100 % similar Nonane111-84-2100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook