2-(2-Methylnonan-2-yloxymethyl)oxirane
PubChem CID: 90659441
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| Topological Polar Surface Area | 21.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-methylnonan-2-yloxymethyl)oxirane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Is Pains | False |
| Molecular Formula | C13H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PUFXNBIBNVWOOS-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 2-(2-Methylnonan-2-yloxymethyl)oxirane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.193 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 214.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 214.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9752637999999996 |
| Inchi | InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(2,3)15-11-12-10-14-12/h12H,4-11H2,1-3H3 |
| Smiles | CCCCCCCC(C)(C)OCC1CO1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemerocallis Minor (Plant) Rel Props:Source_db:cmaup_ingredients