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1-Tridecene-3,5,7,9,11-pentayne

PubChem CID: 441552

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Compound Synonyms 1-Tridecene-3,5,7,9,11-pentayne, 2060-59-5, UNII-0W1JQG9623, Tridec-1-ene-3,5,7,9,11-pentayne, 0W1JQG9623, 1-Tridecen-3,5,7,9,11-pentayne, tridec-1-en-3,5,7,9,11-pentayne, PENTAYNEENE, VINYLPENTAACETYLENE, 1-Tridecene-3,5,7,9,11-pentyne, CHEBI:9699, DTXSID40174613, TRIDECAPENTA-3,5,7,9,11-YN-1-ENE, tridecen-pentain, C08464, DTXCID6097104, KKBHBCOJHHCOCL-UHFFFAOYSA-N, LMFA11000712, Trideca-1-en-3,5,7,9,11-pentayne, Q27108474
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Deep Smiles C=CC#CC#CC#CC#CC#CC
Heavy Atom Count 13.0
Classyfire Class Unsaturated hydrocarbons
Description Found in leaves, flowers and seeds of numerous subspecies e.g. Valeriana officinalis (valerian)
Classyfire Subclass Enynes
Isotope Atom Count 0.0
Molecular Complexity 518.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name tridec-1-en-3,5,7,9,11-pentayne
Prediction Hob 1.0
Class Unsaturated hydrocarbons
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 3.4
Superclass Hydrocarbons
Subclass Enynes
Gsk 4 400 Rule True
Molecular Formula C13H6
Prediction Swissadme 0.0
Inchi Key KKBHBCOJHHCOCL-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0769230769230769
Logs -5.323
Rotatable Bond Count 4.0
Logd 2.837
Synonyms 1-Tridecen-3,5,7,9,11-pentayne, 1-Tridecene-3,5,7,9,11-pentyne, Tridec-1-ene-3,5,7,9,11-pentayne, 1-tridecen-3,5,7,9,11-pentayne, 1-tridecene-3,5,7,9,11-pentayne, 1-tridencene-3,5,7,9,11-pentayne, pentaynene, tridec-1-ene-3,5,7,9,11-pentayne, tridecapentaynene
Esol Class Soluble
Functional Groups C=CC#CC#CC#CC#CC#CC
Compound Name 1-Tridecene-3,5,7,9,11-pentayne
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 162.047
Formal Charge 0.0
Monoisotopic Mass 162.047
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 162.19
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Lipinski Rule Of 5 True
Esol -2.9938842
Inchi InChI=1S/C13H6/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1H2,2H3
Smiles CC#CC#CC#CC#CC#CC=C
Nring 0.0
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Enynes