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(Z)-1,5-Undecadiene

PubChem CID: 24978162

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Compound Synonyms (Z)-1,5-Undecadiene, (5Z)-undeca-1,5-diene, (5Z)-1,5-undecadiene, 106051-44-9, CHEBI:230323, DTXSID701315318
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Np Classifier Class Hydrocarbons
Deep Smiles CCCCC/C=CCCC=C
Heavy Atom Count 11.0
Classyfire Class Unsaturated hydrocarbons
Description Constituent of the essential oil of Tussilago farfara (coltsfoot). (Z)-1,5-Undecadiene is found in tea.
Classyfire Subclass Olefins
Isotope Atom Count 0.0
Molecular Complexity 101.0
Database Name fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (5Z)-undeca-1,5-diene
Class Olefins
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 4.7
Superclass Hydrocarbons
Subclass Acyclic olefins
Gsk 4 400 Rule False
Molecular Formula C11H20
Inchi Key RVJZHJPKLYEVOX-LUAWRHEFSA-N
Silicos It Class Soluble
Rotatable Bond Count 7.0
Synonyms 1,5(z)-undecadiene
Substituent Name Alkadiene, Aliphatic acyclic compound
Esol Class Soluble
Functional Groups C/C=CC, C=CC
Compound Name (Z)-1,5-Undecadiene
Kingdom Organic compounds
Exact Mass 152.157
Formal Charge 0.0
Monoisotopic Mass 152.157
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 152.28
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 1.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Inchi InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,9,11H,1,4-8,10H2,2H3/b11-9-
Smiles CCCCC/C=C\CCC=C
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 1.0
Egan Rule True
Taxonomy Direct Parent Alkadienes
Np Classifier Superclass Fatty acyls

  • 1. Outgoing r'ship FOUND_IN to/from Tussilago Farfara (Plant) Rel Props:Reference:ISBN:9788185042145