chempirical

Cyclododecatriene

C12H18CAS 706-31-0162.28 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C12H18
Molar mass
162.28 g/mol
Exact mass
162.1409 Da
Density
0.8895 g/mL (at 25 °C)
Melting point
−18 °C
Boiling point
96 °C (at 10 Torr)
logP
4.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
706-31-0
SMILES
C1=CCC/C=C/CC/C=C/CC/1
InChIKey
ZOLLIQAKMYWTBR-RYMQXAEESA-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/b2-1-,9-7+,10-8+

Weigh it out

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

Names and synonyms

9 names
  • 1,5,9-Cyclododecatriene, (1E,5E,9Z)-
  • 1,5,9-Cyclododecatriene, (E,E,Z)-
  • (1E,5E,9Z)-1,5,9-Cyclododecatriene
  • 1-cis-5-trans-9-trans-Cyclododecatriene
  • Trans,trans,cis-1,5,9-Cyclododecatriene
  • Cis,trans,trans-1,5,9-Cyclododecatriene
  • (E,E,Z)-1,5,9-Cyclododecatriene
  • (Z,E,E)-1,5,9-Cyclododecatriene
  • (1Z,5E,9E)-Cyclododecatriene

Work with 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 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 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 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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