Molecular Identity
RefChem:1093211
cyclooctatetraene
PubChem CID: 637866
[8]annulene is an antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.
2D Structure
Properties
C8H8
Molecular Formula
104.15
Molecular Weight
g/mol
104.0626
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
86
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
RefChem:1093211Npc50861Cyclooctatetraene1,3,5,7-CYCLOOCTATETRAENE629-20-9[8]Annulenecycloocta-1,3,5,7-tetraene(8)AnnuleneMFCD00004161AJ19R479CQ(1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraeneNSC-5093COT[8]-annuleneUNII-AJ19R479CQ
Data from PubChem (NCBI)
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