(3S)-hexan-3-ol
PubChem CID: 638098
Connections displayed (default: 10).
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| Compound Synonyms | (3S)-hexan-3-ol, (s)-hexan-3-ol, 6210-51-1, Hexan-3S-ol, SCHEMBL1462441, DTXSID40348539, ZOCHHNOQQHDWHG-LURJTMIESA-N, LMFA05000463, EN300-6762808 |
|---|---|
| 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 | (3S)-hexan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOCHHNOQQHDWHG-LURJTMIESA-N |
| Fcsp3 | 1.0 |
| Logs | -0.999 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.732 |
| Compound Name | (3S)-hexan-3-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 | -1.3149973999999998 |
| Inchi | InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1 |
| Smiles | CCC[C@H](CC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients