(1-Methylbutyl)oxirane
PubChem CID: 40691
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| Compound Synonyms | 2-pentan-2-yloxirane, 53229-39-3, (1-METHYLBUTYL)OXIRANE, 2-(pentan-2-yl)oxirane, Oxirane, (1-methylbutyl)-, 2-(1-Methylbutyl)oxirane #, SCHEMBL2397958, DTXSID00967780, YJNBGESTCBYXQO-UHFFFAOYSA-N, AKOS012068616, EN300-1250765 |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 70.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-pentan-2-yloxirane |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJNBGESTCBYXQO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.146 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.611 |
| Compound Name | (1-Methylbutyl)oxirane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 114.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7044656 |
| Inchi | InChI=1S/C7H14O/c1-3-4-6(2)7-5-8-7/h6-7H,3-5H2,1-2H3 |
| Smiles | CCCC(C)C1CO1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients