(2R,3R)-2,3-di(propan-2-yl)oxirane
PubChem CID: 12404777
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| Compound Synonyms | (2R,3R)-2,3-di(propan-2-yl)oxirane, 2,3-Diisopropyloxirane #, CHEBI:87713, IKASFLJHSHDRIQ-HTQZYQBOSA-N, Oxirane, 2,3-bis(1-methylethyl)-, trans-, Q27159861 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 84.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-2,3-di(propan-2-yl)oxirane |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C8H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IKASFLJHSHDRIQ-HTQZYQBOSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (2R,3R)-2,3-di(propan-2-yl)oxirane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 128.12 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 128.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 128.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.172433 |
| Inchi | InChI=1S/C8H16O/c1-5(2)7-8(9-7)6(3)4/h5-8H,1-4H3/t7-,8-/m1/s1 |
| Smiles | CC(C)[C@@H]1[C@H](O1)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients