chempirical

3-Hexene

C6H12CAS 592-47-284.16 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C6H12
Molar mass
84.16 g/mol
Exact mass
84.0939 Da
Density
0.6807 g/mL (at 19 °C)
Melting point
−90 °C
Boiling point
67 °C
logP
2.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
592-47-2
SMILES
CCC=CCC
InChIKey
ZQDPJFUHLCOCRG-UHFFFAOYSA-N
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3

Weigh it out

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

Work with 3-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

2-Pentene109-68-262 % similar cis-2-Pentene627-20-362 % similar trans-2-Pentene646-04-862 % similar trans-3-Heptene14686-14-760 % similar cis-2-Penten-1-ol1576-95-060 % similar trans-3-Octene14919-01-853 % similar 3-Hexen-1-ol544-12-753 % similar cis-3-Hexen-1-ol928-96-153 % 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 1-Hexene592-41-6 2-Hexene592-43-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook