chempirical

1-Eicosene

C20H40CAS 3452-07-1280.54 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C20H40
Molar mass
280.54 g/mol
Exact mass
280.3130 Da
Melting point
28.5 °C
Boiling point
341 °C
logP
7.82Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
17

Identifiers

CAS number
3452-07-1
SMILES
C=CCCCCCCCCCCCCCCCCCC
InChIKey
VAMFXQBUQXONLZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3H,1,4-20H2,2H3

Weigh it out

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

Names and synonyms

5 names
  • Cetyl ethylene
  • α-Eicosene
  • Neodene C 20
  • NSC 77138
  • Methylene nonadecane

Work with 1-Eicosene

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

1-Octene111-66-0100 % similar 1-Dodecene112-41-4100 % similar 1-Octadecene112-88-9100 % similar 1-Tetradecene1120-36-1100 % similar 1-Nonene124-11-8100 % similar 1-Pentadecene13360-61-7100 % similar 1-Docosene1599-67-3100 % similar 1-Nonadecene18435-45-5100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook