2-Octene
PubChem CID: 5364448
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| Compound Synonyms | trans-2-Octene, 13389-42-9, 2-OCTENE, (E)-2-Octene, (E)-oct-2-ene, 2-Octene, (2E)-, trans-Oct-2-ene, OCTENE-2, 2-Octene, (E)-, (2E)-2-Octene, 111-67-1, G13G1YR8YW, (2E)-oct-2-ene, EINECS 203-894-2, EINECS 236-463-2, NSC 66572, 2-OCTENE, TRANS-, CHEBI:88820, CHEBI:167529, DTXSID30872994, MFCD00009532, NSC 97522, NSC-97522, trans-2-Octene, 97%, UNII-G13G1YR8YW, DTXSID0059407, transOct2ene, octene2, Heptene, methyl-, Z-2-Octene, 2Octene, (E), 2Octene, (2E), DTXCID807871, DTXCID0033203, 2Octene(mixed cis, trans isomers), NSC244460, LS-13494, NS00086803, O0132, D91810, Q24735790 |
|---|---|
| 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=C/C |
| 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;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-oct-2-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.7 |
| Superclass | Hydrocarbons |
| Subclass | Unsaturated aliphatic hydrocarbons |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16 |
| Inchi Key | ILPBINAXDRFYPL-HWKANZROSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | (e)-2-octene |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C |
| Compound Name | 2-Octene |
| 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/h3,5H,4,6-8H2,1-2H3/b5-3+ |
| Smiles | CCCCC/C=C/C |
| 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 Juglans Regia (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1477