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Cyclooctene, 1,2-dimethyl-

PubChem CID: 5362808

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Compound Synonyms Cyclooctene, 1,2-dimethyl-, 1,2-Dimethyl-1-cyclooctene #, SFGYZTPBAOYZTF-KTKRTIGZSA-N
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 10.0
Isotope Atom Count 0.0
Molecular Complexity 115.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (1Z)-1,2-dimethylcyclooctene
Prediction Hob 1.0
Xlogp 3.4
Molecular Formula C10H18
Prediction Swissadme 0.0
Inchi Key SFGYZTPBAOYZTF-KTKRTIGZSA-N
Fcsp3 0.8
Logs -4.149
Rotatable Bond Count 0.0
Logd 3.639
Compound Name Cyclooctene, 1,2-dimethyl-
Prediction Hob Swissadme 0.0
Exact Mass 138.141
Formal Charge 0.0
Monoisotopic Mass 138.141
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 138.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -2.8265748
Inchi InChI=1S/C10H18/c1-9-7-5-3-4-6-8-10(9)2/h3-8H2,1-2H3/b10-9-
Smiles C/C/1=C(/CCCCCC1)\C
Nring 1.0
Defined Bond Stereocenter Count 1.0

  • 1. Outgoing r'ship FOUND_IN to/from Astilbe Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients