(2S)-2-methylpentan-1-ol
PubChem CID: 6999993
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| Compound Synonyms | (s)-2-methyl-pentan-1-ol, (2S)-2-methylpentan-1-ol, (2S)-2-methyl-1-pentanol, SCHEMBL1203795, PFNHSEQQEPMLNI-LURJTMIESA-N, A801188 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-methylpentan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PFNHSEQQEPMLNI-LURJTMIESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.948 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.973 |
| Compound Name | (2S)-2-methylpentan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3905973999999999 |
| Inchi | InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1 |
| Smiles | CCC[C@H](C)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Source_db:cmaup_ingredients