1-(2-Butoxyethoxy)ethanol
PubChem CID: 41088
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| Compound Synonyms | 1-(2-BUTOXYETHOXY)ETHANOL, 54446-78-5, Ethanol, 1-(2-butoxyethoxy)-, DTXSID40866425, 2-butoxyethoxyethanol, starbld0008394, SCHEMBL1308908, DTXCID50814710, DB-326258 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 75.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-butoxyethoxy)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C8H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZNQOETZUGRUONW-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.254 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.852 |
| Compound Name | 1-(2-Butoxyethoxy)ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 162.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0327198 |
| Inchi | InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3 |
| Smiles | CCCCOCCOC(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients