2-(5-Ethyl-5-methyltetrahydrofuran-2-yl)propan-2-ol
PubChem CID: 5317140
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(5-ethyl-5-methyltetrahydrofuran-2-yl)propan-2-ol, Linalool oxide, dihydro, 91008-75-2, SCHEMBL4747639, DB-312711 |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-ethyl-5-methyloxolan-2-yl)propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H20O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZSIHHIBGUWREKL-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.756 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.262 |
| Compound Name | 2-(5-Ethyl-5-methyltetrahydrofuran-2-yl)propan-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 172.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8533615999999995 |
| Inchi | InChI=1S/C10H20O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h8,11H,5-7H2,1-4H3 |
| Smiles | CCC1(CCC(O1)C(C)(C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients