chempirical

1-Hexene

C6H12CAS 592-41-684.16 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C6H12
Molar mass
84.16 g/mol
Exact mass
84.0939 Da
Density
0.6731 g/mL (at 20 °C)
Melting point
−139.7 °C
Boiling point
63.4 °C
logP
2.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
592-41-6
SMILES
C=CCCCC
InChIKey
LIKMAJRDDDTEIG-UHFFFAOYSA-N
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

Weigh it out

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

Names and synonyms

6 names
  • 1-n-Hexene
  • Hexene
  • Dialen 6
  • NSC 74121
  • Linealene 6
  • α-Hexene

Work with 1-Hexene

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

Heptene592-76-783 % similar 1-Octene111-66-079 % similar 1-Dodecene112-41-479 % similar 1-Octadecene112-88-979 % similar 1-Tetradecene1120-36-179 % similar 1-Nonene124-11-879 % similar 1-Pentadecene13360-61-779 % similar 1-Docosene1599-67-379 % similar

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

Same formula

Cyclohexane110-82-7 Cyclohexane-D121735-17-7 trans-2-Hexene4050-45-7 Neohexene558-37-2 2,3-Dimethyl-1-butene563-78-0 Tetramethylethylene563-79-1 2-Hexene592-43-8 3-Hexene592-47-2

Elsewhere

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