(2S)-2-ethylhexan-1-ol
PubChem CID: 6991980
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| Compound Synonyms | (2S)-2-ethylhexan-1-ol, 2EH, s(+)2-ethylhexanol, (S)-2-Ethylhexan-1-ol, 128821-84-1, QSPL 012, SCHEMBL9492501, YIWUKEYIRIRTPP-QMMMGPOBSA-N, 1-Hexanol, 2-ethyl-, (2S)-, Q27452941 |
|---|---|
| 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 | (2S)-2-ethylhexan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YIWUKEYIRIRTPP-QMMMGPOBSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.993 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.024 |
| Compound Name | (2S)-2-ethylhexan-1-ol |
| 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-/m0/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