1-Methoxy-3-(2-hydroxyethyl)nonane
PubChem CID: 542174
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| Compound Synonyms | ASCRDHSJOXDMSO-UHFFFAOYSA-N, 3-(2-Methoxyethyl)-1-nonanol #, 1-Methoxy-3-(2-hydroxyethyl)nonane, 1-methoxy-3-(2-hydroxyethyl)-nonane |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCCCCCCOC))))CCO |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 104.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2-methoxyethyl)nonan-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H26O2 |
| Inchi Key | ASCRDHSJOXDMSO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 3-(2-methoxyethyl)-1-nonanol |
| Esol Class | Soluble |
| Functional Groups | CO, COC |
| Compound Name | 1-Methoxy-3-(2-hydroxyethyl)nonane |
| Exact Mass | 202.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 202.33 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H26O2/c1-3-4-5-6-7-12(8-10-13)9-11-14-2/h12-13H,3-11H2,1-2H3 |
| Smiles | CCCCCCC(CCO)CCOC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Sonchus Arvensis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.989185