1,3-Cyclooctadiene

C₈H₁₂CAS 1700-10-3108.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂
Molar mass: 108.18 g/mol
Exact mass: 108.0939 Da
Density: 0.8699 g/mL (at 25 °C)
Melting point: −57.5–55 °C
Boiling point: 48 °C (at 25 Torr)
logP: 2.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

1700-10-3

SMILES

C1=CCCCCC=C1

InChIKey

RRKODOZNUZCUBN-UHFFFAOYSA-N

InChI

InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2

Weigh it out

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

Names and synonyms

4 names

NSC 105773
NSC 72422
Cis,cis-1,3-Cyclooctadiene
(Z,Z)-Cycloocta-1,3-diene

Work with 1,3-Cyclooctadiene

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

Similar compounds

Cyclohexene110-83-864 % similar Cyclododecene1501-82-258 % similar Cycloheptene628-92-258 % similar cis-Cyclooctene931-87-358 % similar Cyclooctene931-88-458 % similar Cyclopentene142-29-050 % similar Codlemone33956-49-945 % similar 1,3,5-Undecatriene16356-11-943 % similar

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

Same formula

4-Vinylcyclohexene100-40-3 1,5-Cyclooctadiene111-78-4 1,5-Cyclooctadiene1552-12-1 1,3-Cyclooctadiene3806-59-5

Elsewhere

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