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

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P316, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,5,9-Cyclododecatriene4904-61-4Stereo not defined Trans,trans,trans-1,5,9-Cyclododecatriene676-22-2Stereoisomer

Similar compounds

1,5-Cyclooctadiene111-78-4100 % similar 1,5-Cyclooctadiene1552-12-1100 % similar Cyclobutene822-35-5100 % similar Bis(cyclooctadiene)nickel(0)1295-35-867 % similar Cyclohexene110-83-856 % similar Cyclopentene142-29-056 % similar Cyclohexa-1,3-diene592-57-456 % similar Dichloro(cycloocta-1,5-diene)platinum(II)12080-32-950 % 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-tert-Butyl-3-ethylbenzene14411-56-4 Bis(1-methylethyl)benzene25321-09-9 1,2,4-Trivinylcyclohexane2855-27-8 3,9-Dodecadiyne61827-89-2

Elsewhere

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