Pentane, 1-(1-ethoxyethoxy)-
PubChem CID: 114523
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| Compound Synonyms | 1-(1-Ethoxyethoxy)pentane, 13442-89-2, Acetaldehyde ethyl amyl acetal, Pentane, 1-(1-ethoxyethoxy)-, 1-ethoxy-1-pentoxyethane, 1-ETHOXY-1-PENTYLOXYETHANE, EINECS 236-580-9, xi-1-Ethoxy-1-pentyloxyethane, DTXSID00884605, 59184-43-9, 4-Methyl-3,50dioxadecane, SCHEMBL10004751, CHEBI:87272, DTXCID301024036, 1-ETHOXY-1-(PENTYLOXY)ETHANE, DB-363559, NS00053963, Q27105118, 236-580-9 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Detected in strawberry volatiles. xi-1-Ethoxy-1-pentyloxyethane is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 74.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-ethoxyethoxy)pentane |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C9H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMLYOIJQQWWNKE-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.289 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.692 |
| Compound Name | Pentane, 1-(1-ethoxyethoxy)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 160.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0221934 |
| Inchi | InChI=1S/C9H20O2/c1-4-6-7-8-11-9(3)10-5-2/h9H,4-8H2,1-3H3 |
| Smiles | CCCCCOC(C)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients