trans-3-Heptene
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 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 3
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
14686-14-7SMILES
CC/C=C/CCCInChIKey
WZHKDGJSXCTSCK-FNORWQNLSA-NInChI
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
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
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
2-Hexene592-43-853 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds