Ethyl butyl ether
PubChem CID: 12355
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| Compound Synonyms | BUTYL ETHYL ETHER, 628-81-9, 1-Ethoxybutane, Ethyl butyl ether, Butane, 1-ethoxy-, n-Butyl ethyl ether, Ether, butyl ethyl, Ether ethylbutylique, Ethyl n-butyl ether, Ether ethylbutylique [French], 1-ethoxy-butane, EINECS 211-055-7, NO396R19PJ, DTXSID7052311, DTXCID4030883, 1-Butyl ethyl ether, UN1179, UNII-NO396R19PJ, MFCD00009455, ethyl, n-butyl ether-, Butyl ethyl ether, 99%, n-C4H9OC2H5, SCHEMBL43234, SCHEMBL4637696, CHEMBL3561108, Tox21_303804, AKOS037478138, UN 1179, NCGC00357088-01, AS-87634, CAS-628-81-9, n-Butyl ethyl ether, stabilized with BHT, DB-054314, B0776, NS00035207, D88684, A834065, Ethyl butyl ether [UN1179] [Flammable liquid], Q3591978, 211-055-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCOCC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 27.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethoxybutane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O |
| Inchi Key | PZHIWRCQKBBTOW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-ethoxy-butane |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | Ethyl butyl ether |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3 |
| Smiles | CCCCOCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279