2-Octene
Properties
- Molecular formula
- C8H16
- Molar mass
- 112.22 g/mol
- Exact mass
- 112.1252 Da
- Density
- 0.725 g/mL (at 20 °C)
- Melting point
- −80 °C
- Boiling point
- 124 °C
- logP
- 3.14Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways100% of notifiers
- H400 Very toxic to aquatic life90.8% of notifiers
- H410 Very toxic to aquatic life with long lasting effects90.8% of notifiers
Aggregated from 130 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P391, P403+P235, P405, P501
Identifiers
CAS number
111-67-1SMILES
CC=CCCCCCInChIKey
ILPBINAXDRFYPL-UHFFFAOYSA-NInChI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
1 names
- NSC 66572
Work with 2-Octene
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(2E)-2-Nonene6434-78-294 % similar
2-Heptene592-77-883 % similar
cis-2-Heptene6443-92-183 % similar
(Z)-9-Tricosene27519-02-468 % similar
trans-2-Hexene4050-45-763 % similar
Hex-2-ene592-43-863 % similar
(3E)-3-Nonene20063-92-759 % similar
(5E)-5-Decene7433-56-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds