chempirical

trans-Cyclooctene

C8H14CAS 931-89-5110.20 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C8H14
Molar mass
110.20 g/mol
Exact mass
110.1096 Da
logP
2.90Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
931-89-5
SMILES
C1CCC/C=C/CC1
InChIKey
URYYVOIYTNXXBN-OWOJBTEDSA-N
InChI
InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2/b2-1+

Weigh it out

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

Names and synonyms

7 names
  • Cyclooctene
  • (1E)-Cyclooctene
  • (E)-Cyclooctene
  • Cyclooctene, (E)-
  • TCO
  • e-Cyclooctene
  • Cyclooctene, (1E)-

Reactions

Work with trans-Cyclooctene

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.

Cyclooctene931-87-3Stereo not defined Cyclooctene931-88-4Stereo not defined

Similar compounds

Cyclododecene1501-82-2100 % similar Cycloheptene628-92-2100 % similar Cyclohexene110-83-889 % similar Cyclopentene142-29-070 % similar Chlorobis(cyclooctene)rhodium dimer12279-09-360 % similar (Z)-9-Tricosene27519-02-460 % similar 1,3-Cyclooctadiene1700-10-358 % similar 1,3-Cyclooctadiene3806-59-558 % similar

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

Same formula

Oct-3-yne15232-76-5 4-Octyne1942-45-6 2-Octyne2809-67-8 1,7-Octadiene3710-30-3 6-Methyl-2-heptyne51065-64-6 2,5-Dimethyl-1,5-hexadiene627-58-7 1-Octyne629-05-0 Vinylcyclohexane695-12-5

Elsewhere

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