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2,4,6-Octatriene, 3,4-dimethyl-

PubChem CID: 5371124

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Compound Synonyms 2,4,6-Octatriene, 3,4-dimethyl-, (2E,4E,6E)-3,4-Dimethyl-2,4,6-octatriene, 57396-75-5, WGAUMWNVHAMGJF-AGPUZOHGSA-N, DB-246822
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 C/C=C/C=C/C=C/C))/C))C
Heavy Atom Count 10.0
Classyfire Class Unsaturated hydrocarbons
Classyfire Subclass Branched unsaturated hydrocarbons
Isotope Atom Count 0.0
Molecular Complexity 168.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name (2E,4E,6E)-3,4-dimethylocta-2,4,6-triene
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Hydrocarbons
Xlogp 4.2
Gsk 4 400 Rule True
Molecular Formula C10H16
Prediction Swissadme 0.0
Inchi Key WGAUMWNVHAMGJF-AGPUZOHGSA-N
Silicos It Class Soluble
Fcsp3 0.4
Logs -3.183
Rotatable Bond Count 2.0
Logd 2.8
Synonyms 2,4,6-octatriene 3,4-dimethyl, 3,4-dimethyl-2,4,6-octatriene
Esol Class Soluble
Functional Groups C/C=C/C=C(C)/C(C)=C/C
Compound Name 2,4,6-Octatriene, 3,4-dimethyl-
Prediction Hob Swissadme 0.0
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 0.0
Total Bond Stereocenter Count 3.0
Lipinski Rule Of 5 True
Esol -3.1986756
Inchi InChI=1S/C10H16/c1-5-7-8-10(4)9(3)6-2/h5-8H,1-4H3/b7-5+,9-6+,10-8+
Smiles C/C=C/C=C(\C)/C(=C/C)/C
Nring 0.0
Np Classifier Biosynthetic Pathway Fatty acids
Defined Bond Stereocenter Count 3.0
Egan Rule True
Np Classifier Superclass Fatty acyls