(2S)-hexan-2-ol
PubChem CID: 638097
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| Compound Synonyms | (S)-(+)-2-Hexanol, 52019-78-0, (2S)-hexan-2-ol, (s)-2-hexanol, (S)-hexan-2-ol, MFCD00065955, (2S)-2-hexanol, (s)-(+)-hexanol, s-(+)-2-hexanol, 2-Hexanol, (S)-, 2-Hexanol #, 2-Hexanol, (2S)-, s-2-hexanol, (s)(+)-2-hexanol, JM3G4T9YH9, (+)-2-HEXANOL, SCHEMBL566846, BDBM36162, (S)-(+)-2-Hexanol, 98%, AKOS006341289, AS-81170, CS-0179420, D97166, EN300-1850856, A828887, (S)-(+)-2-Hexanol, ChiPros(R), produced by BASF, 98%, 624-727-3 |
|---|---|
| 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)-hexan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QNVRIHYSUZMSGM-LURJTMIESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.982 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.728 |
| Compound Name | (2S)-hexan-2-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 | -1.3842974 |
| Inchi | InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1 |
| Smiles | CCCC[C@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Saluenensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients