Cyclooctatetraene

C8H8CAS 629-20-9104.15 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C8H8
Molar mass
104.15 g/mol
Exact mass
104.0626 Da
Density
0.925 g/mL (at 20 °C)
Melting point
−4.7 °C
Boiling point
140.5 °C
logP
2.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
629-20-9
SMILES
C1=CC=C/C=CC=C/1
InChIKey
KDUIUFJBNGTBMD-DLMDZQPMSA-N
InChI
InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-

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Names and synonyms

3 names
  • 1,3,5,7-Cyclooctatetraene
  • [8]Annulene
  • NSC 5093

Work with Cyclooctatetraene

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

1,3,5-Cyclooctatriene1871-52-933 % similar Cycloheptatriene544-25-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Styrene100-42-5 Benzocyclobutene694-87-1 Polystyrene9003-53-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia