Pentane, 2-ethoxy-
PubChem CID: 102692
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| Compound Synonyms | 2-Ethoxypentane, 1817-89-6, Pentane, 2-ethoxy-, Ethyl 1-methylbutyl ether, sec-Amyl ethyl ether, DTXSID40883753, Propylather, SCHEMBL3315438, DTXCID40927560, MFCD00043661, AKOS006272613 |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 43.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethoxypentane |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFKPOLRDQWCGPV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.981 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.385 |
| Compound Name | Pentane, 2-ethoxy- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 116.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6383648 |
| Inchi | InChI=1S/C7H16O/c1-4-6-7(3)8-5-2/h7H,4-6H2,1-3H3 |
| Smiles | CCCC(C)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients