3-Ethoxy-1-propanol
PubChem CID: 8109
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| Compound Synonyms | 3-Ethoxy-1-propanol, 3-ethoxypropan-1-ol, 111-35-3, 1-Propanol, 3-ethoxy-, Dowanol PEAT, 3-ethoxypropanol, 3-Ethoxypropane-1-ol, Propylene glycol 3-ethyl ether, 3-Ethoxyl-1-propanol, Propylene glycol beta-monoethyl ether, Propanol, 3-ethoxy, 3-Ethoxy-2-propyl alcohol, EINECS 203-861-2, NSC 78799, BRN 1732292, 28V3RKF4Z1, AI3-18446, MFCD00002948, NSC-78799, Propylene glycol .beta.-monoethyl ether, UNII-28V3RKF4Z1, Propylene glycol monoethyl ether, .beta., DTXSID4073124, CHEBI:87489, beta-propylene glycol monoethyl ether, Propylene glycol monoethyl ether, beta, ETHOXY PROPANOL, 3-ethoxy-propan-1-ol, SCHEMBL4864, WLN: Q3O2, 3-Ethoxy-1-propanol, 97%, DTXCID8033194, 1,3-Propanediol monoethyl ether, NSC78799, BBL102752, STL556558, AKOS005292552, LS-13092, DB-040966, NS00020254, EN300-80489, D95933, Q26841034, Z1080358490 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Description | Flavouring compound [Flavornet] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethoxypropan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C5H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XHMWPVBQGARKQM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.902 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.143 |
| Compound Name | 3-Ethoxy-1-propanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 104.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2973237999999999 |
| Inchi | InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3 |
| Smiles | CCOCCCO |
| 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