2-Hexanol, (R)-
PubChem CID: 6993810
Connections displayed (default: 10).
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| Compound Synonyms | (R)-(-)-2-Hexanol, 26549-24-6, (2R)-hexan-2-ol, 2-Hexanol, (2R)-, (r)-2-hexanol, (R)-hexan-2-ol, 2-Hexanol, (R)-, (2R)-2-hexanol, MFCD00065954, 2-Hexanol #, (-)-2-HEXANOL, SCHEMBL1203302, BDBM36160, (R)-(-)-2-Hexanol, 99%, AKOS017343286, 4687A22R2W, BS-53184, DB-067642, CS-0179419, D97165, 621-722-8 |
|---|---|
| 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 | (2R)-hexan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C6H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QNVRIHYSUZMSGM-ZCFIWIBFSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.432 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.747 |
| Compound Name | 2-Hexanol, (R)- |
| 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-/m1/s1 |
| Smiles | CCCC[C@@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients