2-Ethyl-1-hexene
Properties
- Molecular formula
- C8H16
- Molar mass
- 112.22 g/mol
- Exact mass
- 112.1252 Da
- Density
- 0.7267 g/mL (at 20 °C)
- Boiling point
- 120 °C
- logP
- 3.14Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor96.7% of notifiers
- H315 Causes skin irritation99.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects97.5% of notifiers
Aggregated from 120 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P391, P403+P235, P501
Identifiers
CAS number
1632-16-2SMILES
C=C(CC)CCCCInChIKey
XTVRLCUJHGUXCP-UHFFFAOYSA-NInChI
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Heptane, 3-methylene-
- 1-Hexene, 2-ethyl-
- 3-Methyleneheptane
- 2-Ethylhexene
- NSC 19874
- 3-Methylideneheptane
Work with 2-Ethyl-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
3-Methylenepentane760-21-455 % similar
2-Methyl-1-hexene6094-02-654 % similar
3-Heptanone106-35-446 % similar
2-Methyl-1-heptene15870-10-746 % similar
Methylenecyclohexane1192-37-641 % similar
5-Nonanone502-56-740 % similar
2-Methyl-1-pentene763-29-140 % similar
3-Octanone106-68-339 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds