chempirical

cis-3-Heptene

C7H14CAS 7642-10-698.19 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C7H14
Molar mass
98.19 g/mol
Exact mass
98.1096 Da
logP
2.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3
Double bonds
ZE/Z, in SMILES order

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, P501

Identifiers

CAS number
7642-10-6
SMILES
CCC/C=C\CC
InChIKey
WZHKDGJSXCTSCK-ALCCZGGFSA-N
InChI
InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-

Weigh it out

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

Names and synonyms

1 names
  • 3-Heptene, (3Z)-

Work with cis-3-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 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.

trans-3-Heptene14686-14-7Diastereomer

Similar compounds

trans-4-Octene14850-23-873 % similar cis-4-Octene7642-15-173 % similar trans-3-Octene14919-01-868 % similar (3E)-3-Nonene20063-92-765 % similar 3-Hexene592-47-260 % similar 4-Nonene2198-23-458 % similar trans-2-Hexene4050-45-753 % similar Hex-2-ene592-43-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methylcyclohexane-D1410120-28-2 Methylcyclohexane108-87-2 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 1,2-Dimethylcyclopentane2452-99-5 Cycloheptane291-64-5 2,3-Dimethylpent-1-ene3404-72-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook