1,5-Cyclooctadiene

C₈H₁₂CAS 1552-12-1108.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₂
Molar mass: 108.18 g/mol
Exact mass: 108.0939 Da
Density: 0.8818 g/mL (at 25 °C)
Melting point: −70–69 °C
Boiling point: 150.8 °C (at 757 Torr)
logP: 2.67Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

1552-12-1

SMILES

C1=CCCC=CCC1

InChIKey

VYXHVRARDIDEHS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

1,5-COD
COD
NSC 60155
cis-1,5-Cyclooctadiene

Work with 1,5-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

1,5,9-Cyclododecatriene4904-61-4100 % similar Trans,trans,trans-1,5,9-cyclododecatriene676-22-2100 % similar Cyclododecatriene706-31-0100 % similar Bis(cyclooctadiene)nickel(0)1295-35-867 % similar Cyclohexene110-83-856 % similar Cyclopentene142-29-056 % similar Dichloro(cycloocta-1,5-diene)platinum(II)12080-32-950 % similar Cyclooctadiene rhodium chloride dimer12092-47-650 % similar

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

Same formula

4-Vinylcyclohexene100-40-3 1,5-Cyclooctadiene111-78-4 1,3-Cyclooctadiene1700-10-3 1,3-Cyclooctadiene3806-59-5

Elsewhere

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