2-Ethyl-2,3-epoxypropanol
PubChem CID: 14478661
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| Compound Synonyms | 2-ethyl-2,3-epoxypropanol, SCHEMBL1467145, NXPXQOGPODGJKY-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC1 |
| Deep Smiles | CCCCO))CO3 |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Epoxides |
| Scaffold Graph Node Level | C1CO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 72.5 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-ethyloxiran-2-yl)methanol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O2 |
| Scaffold Graph Node Bond Level | C1CO1 |
| Inchi Key | NXPXQOGPODGJKY-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | (2r)-2-ethyl-2,3-epoxypropanol, (2s)-2-ethyl-2,3-epoxypropanol |
| Esol Class | Very soluble |
| Functional Groups | CC1(C)CO1, CO |
| Compound Name | 2-Ethyl-2,3-epoxypropanol |
| Exact Mass | 102.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 102.13 |
| 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/C5H10O2/c1-2-5(3-6)4-7-5/h6H,2-4H2,1H3 |
| Smiles | CCC1(CO1)CO |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075