1-Butoxy-1-ethoxyethane
PubChem CID: 552119
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| Compound Synonyms | 1-Butoxy-1-ethoxyethane, 1-(1-Ethoxyethoxy)butane, Butane, 1-(1-ethoxyethoxy)-, 57006-87-8, xi-1-Ethoxy-1-butoxyethane, CHEBI:87383, DTXSID30338949, 1,1-butoxyethoxyethane, 1-butoxy-1-ethoxy-ethane, 1-(1-Ethoxyethoxy)butane #, acetaldehyde butyl ethyl acetal, SCHEMBL1426655, DTXCID10290031, 1-(1-ETHOXY-ETHOXY)-BUTANE, BUTANE,1-(1-ETHOXYETHOXY)-, AKOS024331354, DB-326075, NS00126134, F88088, Q27159577 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | Detected in strawberry volatiles by gc-ms. xi-1-Ethoxy-1-butoxyethane is found in fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-ethoxyethoxy)butane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Is Pains | False |
| Molecular Formula | C8H18O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VULXTAWRXFGMKL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 1-Butoxy-1-ethoxyethane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.131 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 146.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 146.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6610259999999997 |
| Inchi | InChI=1S/C8H18O2/c1-4-6-7-10-8(3)9-5-2/h8H,4-7H2,1-3H3 |
| Smiles | CCCCOC(C)OCC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients