cis-2-Heptene
Properties
- Molecular formula
- C7H14
- Molar mass
- 98.19 g/mol
- Exact mass
- 98.1096 Da
- Density
- 0.705 g/mL (at 25 °C)
- Boiling point
- 98.4 °C
- logP
- 2.75Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
6443-92-1SMILES
C/C=CCCCCInChIKey
OTTZHAVKAVGASB-HYXAFXHYSA-NInChI
InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 2-Heptene, (2Z)-
- 2-Heptene, (Z)-
- (2Z)-2-Heptene
- (Z)-2-Heptene
Work with cis-2-Heptene
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
2-Octene111-67-183 % similar
2-Octene13389-42-983 % similar
(2E)-2-Nonene6434-78-279 % similar
(5E)-5-Decene7433-56-971 % similar
trans-2-Hexene4050-45-767 % similar
Hex-2-ene592-43-867 % similar
4-Nonene2198-23-463 % similar
trans-3-Octene14919-01-857 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.