2-Pentene, 1-ethoxy-4-methyl-, (Z)-
PubChem CID: 5365079
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (Z)-1-Ethoxy-4-methyl-2-pentene, 2-Pentene, 1-ethoxy-4-methyl-, (Z)-, 51149-75-8, XLTXOKDODGBUDF-WAYWQWQTSA-N, (2Z)-1-Ethoxy-4-methyl-2-pentene # |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-ethoxy-4-methylpent-2-ene |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XLTXOKDODGBUDF-WAYWQWQTSA-N |
| Fcsp3 | 0.75 |
| Logs | -2.295 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.281 |
| Compound Name | 2-Pentene, 1-ethoxy-4-methyl-, (Z)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.6813329999999997 |
| Inchi | InChI=1S/C8H16O/c1-4-9-7-5-6-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5- |
| Smiles | CCOC/C=C\C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients