(r)-2-Ethylhexanol
PubChem CID: 6991979
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| Compound Synonyms | 50373-29-0, (r)-2-ethylhexanol, (R)-2-Ethylhexan-1-ol, 2-Ethyl-hexan-1-ol, 1-Hexanol, 2-ethyl-, (R)-, ZINC01529451, SCHEMBL8420801, DTXSID50426296, YIWUKEYIRIRTPP-MRVPVSSYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 52.5 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-ethylhexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YIWUKEYIRIRTPP-MRVPVSSYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.007 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.992 |
| Compound Name | (r)-2-Ethylhexanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 130.229 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2578322 |
| Inchi | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1 |
| Smiles | CCCC[C@@H](CC)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Pinellia Ternata (Plant) Rel Props:Source_db:cmaup_ingredients