2-Isopropyl-1,3-dioxolane
PubChem CID: 13201
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-ISOPROPYL-1,3-DIOXOLANE, 822-83-3, 2-propan-2-yl-1,3-dioxolane, 1,3-Dioxolane, 2-isopropyl-, 1,3-Dioxolane, 2-(1-methylethyl)-, 2-Isopropyldioxolane, 2-(propan-2-yl)-1,3-dioxolane, 2-(1-Methylethyl)-1,3-dioxolane, CHEBI:87317, DTXSID50231620, NSC 139442, NSC-139442, NSC139442, 1, 2-isopropyl-, AWV7Z4N6FJ, SCHEMBL3079746, DTXCID80154111, AKOS006291982, ISOBUTYRALDEHYDE ETHYLENE ACETAL, DB-164468, Q27159520 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 64.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propan-2-yl-1,3-dioxolane |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C6H12O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SMYRHRFGKYUCFB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.785 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.064 |
| Compound Name | 2-Isopropyl-1,3-dioxolane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 116.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 116.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 116.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.250192 |
| Inchi | InChI=1S/C6H12O2/c1-5(2)6-7-3-4-8-6/h5-6H,3-4H2,1-2H3 |
| Smiles | CC(C)C1OCCO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients