3-Hexene
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
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
592-47-2SMILES
CCC=CCCInChIKey
ZQDPJFUHLCOCRG-UHFFFAOYSA-NInChI
InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3Weigh 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
Pent-2-ene109-68-262 % 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
cis-3-Heptene7642-10-660 % similar
trans-3-Octene14919-01-853 % similar
3-Hexen-1-ol544-12-753 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.