chempirical

1,3,5-Cyclooctatriene

C8H10CAS 1871-52-9106.17 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C8H10
Molar mass
106.17 g/mol
Exact mass
106.0783 Da
logP
2.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Double bonds
Z, Z, ZE/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
1871-52-9
SMILES
C1/C=C\C=C/C=C\C1
InChIKey
ICPMUWPXCAVOOQ-XCADPSHZSA-N
InChI
InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-6H,7-8H2/b2-1-,5-3-,6-4-

Weigh it out

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

Names and synonyms

2 names
  • (1Z,3Z,5Z)-Cycloocta-1,3,5-triene
  • Cycloocta-1,3,5-triene

Reactions

Work with 1,3,5-Cyclooctatriene

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

Cyclohexa-1,3-diene592-57-489 % similar 1,3-Cyclooctadiene1700-10-358 % similar 1,3-Cyclooctadiene3806-59-558 % similar 1,5-Cyclooctadiene111-78-450 % similar 1,5-Cyclooctadiene1552-12-150 % similar 1,5,9-Cyclododecatriene4904-61-450 % similar Cycloheptatriene544-25-250 % similar Trans,trans,trans-1,5,9-Cyclododecatriene676-22-250 % similar

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

Same formula

Ethylbenzene100-41-4 P-Xylene106-42-3 M-Xylene108-38-3 6,6-Dimethylfulvene2175-91-9 3,6-Di(methyl-d3)benzene-1,2,4,5-d441051-88-1 1,7-Octadiyne871-84-1 O-Xylene95-47-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook