chempirical

Octadecane

C18H38CAS 593-45-3254.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H38
Molar mass
254.50 g/mol
Exact mass
254.2974 Da
Density
0.7786 g/mL (at 28 °C)
Melting point
28.2 °C
Boiling point
316.3 °C
logP
7.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
15

Identifiers

CAS number
593-45-3
SMILES
CCCCCCCCCCCCCCCCCC
InChIKey
RZJRJXONCZWCBN-UHFFFAOYSA-N
InChI
InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

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Names and synonyms

6 names
  • n-Octadecane
  • C18-n-Alkane
  • NSC 4201
  • Cactus normal paraffin TS 8
  • TS 8
  • TS Paraffin TS 8

Work with Octadecane

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 Wikipedia