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3-Ethenylcyclooctene

PubChem CID: 549002

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Compound Synonyms 3-Ethenylcyclooctene, DTXSID20338418, 2213-60-7
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCCCC1
Deep Smiles C=CCCCCCCC=C8
Heavy Atom Count 10.0
Classyfire Class Unsaturated hydrocarbons
Scaffold Graph Node Level C1CCCCCCC1
Classyfire Subclass Olefins
Isotope Atom Count 0.0
Molecular Complexity 122.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-ethenylcyclooctene
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 4.1
Gsk 4 400 Rule True
Molecular Formula C10H16
Scaffold Graph Node Bond Level C1=CCCCCCC1
Inchi Key UHQZGHLWHFIZHF-UHFFFAOYSA-N
Silicos It Class Soluble
Rotatable Bond Count 1.0
Synonyms 3-ethenylcyclooctene
Esol Class Soluble
Functional Groups C=CC, CC=CC
Compound Name 3-Ethenylcyclooctene
Exact Mass 136.125
Formal Charge 0.0
Monoisotopic Mass 136.125
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 136.23
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 1.0
Lipinski Rule Of 5 True
Inchi InChI=1S/C10H16/c1-2-10-8-6-4-3-5-7-9-10/h2,6,8,10H,1,3-5,7,9H2
Smiles C=CC1CCCCCC=C1
Defined Bond Stereocenter Count 0.0
Egan Rule True

  • 1. Outgoing r'ship FOUND_IN to/from Cordia Sebestena (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884758