Methyl hexyl ether
PubChem CID: 78484
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| Compound Synonyms | 1-Methoxyhexane, Hexyl methyl ether, 4747-07-3, Methyl hexyl ether, Hexane, 1-methoxy-, n-Hexyl Methyl Ether, Ether, hexyl methyl, N-HEXYLMETHYLETHER, Methyl-n-Hexyl ether, 1-Methoxy-Hexane, R99K6ANQ7T, DIOLA, UNII-R99K6ANQ7T, DTXSID3063594, FEMA NO. 4291, ICBJCVRQDSQPGI-UHFFFAOYSA-, METHYL HEXYL ETHER [FHFI], EINECS 225-263-0, methyl n-hexyl ether, MFCD00015350, 1-Methoxyhexane, AldrichCPR, SCHEMBL57897, SCHEMBL6851067, DTXCID3040568, CHEBI:179171, METHYL HEXYL ETHER [INCI], AKOS002314381, AS-81670, H0930, NS00012906, D90977, Q3333699 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCOC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.4 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxyhexane |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.4 |
| Superclass | Organic oxygen compounds |
| Subclass | Ethers |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H16O |
| Inchi Key | ICBJCVRQDSQPGI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 1-Methoxy-hexane, 1-Methoxyhexane, Ether, hexyl methyl, Hexyl methyl ether, Methyl-N-hexyl ether, Methyl hexyl ether, methyl hexyl ether |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | Methyl hexyl ether |
| Kingdom | Organic compounds |
| Exact Mass | 116.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 116.2 |
| 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/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3 |
| Smiles | CCCCCCOC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyl ethers |
- 1. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698455