1,7-Octadiene

C₈H₁₄CAS 3710-30-3110.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₄
Molar mass: 110.20 g/mol
Exact mass: 110.1096 Da
Density: 0.7293 g/mL (at 21.44 °C)
Melting point: −70 °C
Boiling point: 114 °C
logP: 2.92Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Identifiers

CAS number

3710-30-3

SMILES

C=CCCCCC=C

InChIKey

XWJBRBSPAODJER-UHFFFAOYSA-N

InChI

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2

Weigh it out

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

Names and synonyms

2 names

α,ω-Octadiene
NSC 82324

Work with 1,7-Octadiene

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

1,9-Decadiene1647-16-192 % similar 1,13-Tetradecadiene21964-49-892 % similar 1,8-Nonadiene4900-30-592 % similar 1,6-Heptadiene3070-53-983 % similar 1,5-Hexadiene592-42-767 % similar 6-Bromo-1-hexene2695-47-865 % similar Heptene592-76-765 % similar 5-Hexen-1-ol821-41-065 % similar

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

Same formula

3-Octyne15232-76-5 4-Octyne1942-45-6 2-Octyne2809-67-8 2,5-Dimethyl-1,5-hexadiene627-58-7 1-Octyne629-05-0 Vinylcyclohexane695-12-5 2,5-Dimethyl-2,4-hexadiene764-13-6 cis-Cyclooctene931-87-3

Elsewhere

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