1-Ethoxypentane
PubChem CID: 87370
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| Compound Synonyms | 1-Ethoxypentane, Pentane, 1-ethoxy-, 17952-11-3, Ether, ethyl pentyl, Ethyl pentyl ether, Ethyl amyl ether, Amyl ethyl ether, NSC-152102, Butane, ethoxymethyl-, EINECS 241-877-1, BRN 1731551, 1-ethoxy-pentane, 1-Ethoxypentane #, ethyl 1-pentyl ether, BG9HT4KHP4, 3-01-00-01602 (Beilstein Handbook Reference), n-C5H11OC2H5, SCHEMBL127880, DTXSID90170822, NSC152102, STL453700, AKOS006275946, NSC 152102, NS00025909, Q3591983 |
|---|---|
| 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 | CCCCCOCC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Ethers |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.4 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethoxypentane |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H16O |
| Inchi Key | VDMXPMYSWFDBJB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 1-ethoxy-pentane |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | 1-Ethoxypentane |
| 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 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3 |
| Smiles | CCCCCOCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279