Butyl methyl ether
PubChem CID: 12338
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | BUTYL METHYL ETHER, 1-Methoxybutane, 628-28-4, n-Butyl methyl ether, Butane, 1-methoxy-, Methyl n-butyl ether, Methyl butyl ether, Ether, butyl methyl, EINECS 211-033-7, buthyl methly ester, UN2350, n-C4H9OCH3, DTXSID5074559, UN 2350, alpha-Methoxybutane, butylmethyl ether, alphaMethoxybutane, BuOMe, Butane, 1methoxy, Methyl nbutyl ether, MFCD00009453, .alpha.-Methoxybutane, Butyl methyl ether, 99%, Butane, 1methoxy (9CI), Butane, 1-methoxy-(9CI), DTXCID1043542, M0504, NS00035184, D91343, Butyl methyl ether [UN2350] [Flammable liquid], Q3333697, 211-033-7 |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | CCCCOC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 19.9 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxybutane |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.7 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12O |
| Inchi Key | CXBDYQVECUFKRK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | butyl methyl ether |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | Butyl methyl ether |
| Kingdom | Organic compounds |
| Exact Mass | 88.0888 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 88.0888 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 88.15 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3 |
| Smiles | CCCCOC |
| 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 |
- 1. Outgoing r'ship
FOUND_INto/from Cupressus Lusitanica (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.10554249