2-Ethyl-1,3-dioxolane
PubChem CID: 17381
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| Compound Synonyms | 2-ETHYL-1,3-DIOXOLANE, 2568-96-9, 1,3-Dioxolane, 2-ethyl-, EINECS 219-910-6, Propanal, cyclic 1,2-ethanediyl acetal, DTXSID80180374, 2-Ethyldioxolane, 2-ethyl dioxolane, MFCD00792514, 2-ethyl-1,3-dioxolan, SCHEMBL26404, DTXCID90102865, AKOS006275602, FS-6482, DB-313981, NS00027943, 219-910-6 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 48.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethyl-1,3-dioxolane |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C5H10O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WEBRDDDJKLAXTO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.484 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.957 |
| Compound Name | 2-Ethyl-1,3-dioxolane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 102.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8860245999999998 |
| Inchi | InChI=1S/C5H10O2/c1-2-5-6-3-4-7-5/h5H,2-4H2,1H3 |
| Smiles | CCC1OCCO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients