trans-3-Heptene

C₇H₁₄CAS 14686-14-798.19 g/mol

Open in Covalent MOL file

Alkene

Properties

Molecular formula: C₇H₁₄
Molar mass: 98.19 g/mol
Exact mass: 98.1096 Da
Melting point: −136.6 °C
Boiling point: 95.7 °C
logP: 2.75Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H304 May be fatal if swallowed and enters airways100% 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, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

14686-14-7

SMILES

CC/C=C/CCC

InChIKey

WZHKDGJSXCTSCK-FNORWQNLSA-N

InChI

InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5+

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

Names and synonyms

5 names

3-Heptene, (3E)-
3-Heptene, (E)-
(3E)-3-Heptene
(E)-3-Heptene
NSC 74133

Work with trans-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 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.

cis-3-Heptene7642-10-6Diastereomer

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 5-Methyl-1-hexene3524-73-0

Elsewhere

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