1,5,9-Cyclododecatriene

C₁₂H₁₈CAS 4904-61-4162.28 g/mol

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Properties

Molecular formula: C₁₂H₁₈
Molar mass: 162.28 g/mol
Exact mass: 162.1409 Da
Density: 0.891 g/mL (at 20 °C)
Melting point: −18 °C
Boiling point: 100–101 °C
logP: 4.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

4904-61-4

SMILES

C1=CCCC=CCCC=CCC1

InChIKey

ZOLLIQAKMYWTBR-UHFFFAOYSA-N

InChI

InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2

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Names and synonyms

3 names

CDT
NSC 72433
1,5,9-Cyclooctadecatriene

Work with 1,5,9-Cyclododecatriene

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

1,5-Cyclooctadiene111-78-4100 % similar 1,5-Cyclooctadiene1552-12-1100 % 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 Dichloro(1,5-cyclooctadiene)palladium12107-56-150 % similar

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

Same formula

1,4-Diisopropylbenzene100-18-5 1,3,5-Triethylbenzene102-25-0 Hexylbenzene1077-16-3 1,2,4-Trivinylcyclohexane2855-27-8 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 Cyclododecatriene706-31-0 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-0 1,2,3,4,5,6-Hexamethylbicyclo(2,2,0)hexa-2,5-diene7641-77-2

Elsewhere

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