1,4-Hexadiene
PubChem CID: 5365552
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| Compound Synonyms | 1,4-HEXADIENE, trans-1,4-Hexadiene, 7319-00-8, 592-45-0, 1,4-Hexadiene, (4E)-, (4E)-hexa-1,4-diene, (e)-1,4-hexadiene, 1,4-trans-hexadiene, 1,4-Hexadiene,c&t, (4E)-1,4-Hexadiene, 1,4-Hexadiene, cis + trans, MFCD00009298, Allylpropenyl, 1,4-Hexadiene cis-trans, 1,4-Hexa-1,4-diene, 17304456C6, 1-Allylpropene, DTXSID5027227, 1,4-Hexadiene, (E)-, UNII-6PP6232O6R, HSDB 5708, EINECS 209-756-8, UNII-17304456C6, 1,4-Hexadiene,(4E)-, CHEMBL3182034, DTXCID00809752, DTXSID50859500, (E)-CH2=CHCH2CH=CHCH3, 6PP6232O6R, Tox21_201155, NSC157585, AKOS025295504, NCGC00248939-01, NCGC00258707-01, CAS-592-45-0, 1,4-Hexadiene (cis- and trans- mixture), H0927, NS00022457, F19222, Q27251861, InChI=1/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4 |
|---|---|
| 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 | Fatty alcohols |
| Deep Smiles | C=CC/C=C/C |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 51.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E)-hexa-1,4-diene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H10 |
| Inchi Key | PRBHEGAFLDMLAL-GQCTYLIASA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | hexa-1,4-diene |
| Esol Class | Very soluble |
| Functional Groups | C/C=C/C, C=CC |
| Compound Name | 1,4-Hexadiene |
| Exact Mass | 82.0783 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 82.0783 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 82.14 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4+ |
| Smiles | C/C=C/CC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Reference:https://doi.org/10.1016/s0031-9422(03)00142-0