4-Ethyl-1-hexene
PubChem CID: 123365
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| Compound Synonyms | 4-Ethyl-1-hexene, 4-ethylhex-1-ene, 1-Hexene, 4-ethyl-, 16746-85-3, CHEBI:87523, DTXSID70937334, 4Ethyl1hexene, DTXCID401365902, AKOS006275387, DA-09485, EN300-344824, Q27159696 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 51.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethylhex-1-ene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Is Pains | False |
| Molecular Formula | C8H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OPMUAJRVOWSBTP-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 4.0 |
| Compound Name | 4-Ethyl-1-hexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.125 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 112.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 112.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6342391999999997 |
| Inchi | InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h4,8H,1,5-7H2,2-3H3 |
| Smiles | CCC(CC)CC=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients