2-Ethoxybutane
PubChem CID: 17586
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| Compound Synonyms | sec-Butyl ethyl ether, 2-ETHOXYBUTANE, 2679-87-0, Butane, 2-ethoxy-, Ethyl sec-butyl ether, Ether, sec-butyl ethyl, 2-Ethoxy-Butane, FEMA No. 3131, UNII-9NHX6V19XI, EINECS 220-234-9, 9NHX6V19XI, BRN 1731313, sec-C4H9OC2H5, FEMA 3131, (+/-)-2-ETHOXYBUTANE, DTXSID30863009, 4-01-00-01572 (Beilstein Handbook Reference), 2-ETHOXYBUTANE, (+/-)-, SEC-BUTYL ETHYL ETHER [FHFI], Aethylather, MFCD00053773, SCHEMBL157863, DTXCID60811694, CHEBI:229332, sec-Butyl ethyl ether, AldrichCPR, BS-23838, B2399, CS-0196425, NS00048743, D88933, Q27272785, 220-234-9 |
|---|---|
| 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 | CCOCCC))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring agent |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.2 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethoxybutane |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSCUCHUDCLERMY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -1.212 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.575 |
| Synonyms | 2-Ethoxy-butane, Butane, 2-ethoxy-, Ether, sec-butyl ethyl, Ethyl sec-butyl ether, FEMA 3131, Sec-butyl ethyl ether, Sec-C4H9OC2H5, butane,2-ethoxy- |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | 2-Ethoxybutane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.3905973999999999 |
| Inchi | InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3 |
| Smiles | CCC(C)OCC |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyl ethers |
| Np Classifier Superclass | Fatty acyls |
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