3-Octene, (3E)-
PubChem CID: 638228
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| Compound Synonyms | trans-3-Octene, 14919-01-8, (E)-Oct-3-ene, 3-Octene, (E)-3-Octene, 3-octene, (3E)-, 3-Octene, (E)-, (3E)-3-Octene, 592-98-3, 2A4P9KO860, (3E)-oct-3-ene, EINECS 238-990-3, NSC-95418, .GAMMA.-TRANS-OCTENE, CHEBI:88863, HSDB 5146, CHEBI:167526, DTXSID90872995, EINECS 246-920-8, MFCD00039971, NSC 95418, EC 246-920-8, DTXSID40862260, Okten, UNII-2A4P9KO860, Oct3ene, trans-oct-3-ene, EINECS 209-779-3, (E)Oct3ene, Octene (all isomers), A1AJD, OCTENE [HSDB], OCTENE [INCI], GAMMA-TRANS-OCTENE, trans-3-Octene, 98%, UNII-BY37UED16B, BY37UED16B, DTXSID3027871, CHEBI:46709, DTXCID40820507, DTXCID60811053, NSC95418, AKOS015916273, (E)-3-C8H16, NS00008142, O0134, D91811, Q27160872 |
|---|---|
| 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 | CCCC/C=C/CC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Unsaturated aliphatic hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 53.1 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-oct-3-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.6 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Inchi Key | YCTDZYMMFQCTEO-FNORWQNLSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (e)-3-octene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 3-Octene, (3E)- |
| Kingdom | Organic compounds |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| 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/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+ |
| Smiles | CCCC/C=C/CC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Unsaturated aliphatic hydrocarbons |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Coreopsis Tinctoria (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1510792