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1-Cyclohexylnonene

PubChem CID: 5364533

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Compound Synonyms 1-Cyclohexylnonene, (1E)-1-Nonenylcyclohexane, (1E)-1-Nonenylcyclohexane #, [(E)-non-1-enyl]-cyclohexane, MBCLPXXVLKGFPM-FMIVXFBMSA-N, AKOS015907162
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 15.0
Isotope Atom Count 0.0
Molecular Complexity 151.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name [(E)-non-1-enyl]cyclohexane
Prediction Hob 1.0
Xlogp 7.0
Molecular Formula C15H28
Prediction Swissadme 0.0
Inchi Key MBCLPXXVLKGFPM-FMIVXFBMSA-N
Fcsp3 0.8666666666666667
Logs -6.691
Rotatable Bond Count 7.0
Logd 4.788
Compound Name 1-Cyclohexylnonene
Prediction Hob Swissadme 0.0
Exact Mass 208.219
Formal Charge 0.0
Monoisotopic Mass 208.219
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 208.38
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Esol -5.0674117999999995
Inchi InChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h9,12,15H,2-8,10-11,13-14H2,1H3/b12-9+
Smiles CCCCCCC/C=C/C1CCCCC1
Nring 1.0
Defined Bond Stereocenter Count 1.0

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