2-Octanol, (2R)-
PubChem CID: 80080
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| Compound Synonyms | (R)-(-)-2-Octanol, 5978-70-1, (R)-2-octanol, (R)-Octan-2-ol, (2R)-octan-2-ol, (2R)-2-octanol, l-Octan-2-ol, 2-Octanol, (2R)-, 2-Octanol, (R)-, l-2-octanol, (R)-(-)-Hexylmethylcarbinol, 2-Octanol, (theta)-, 2SHB67XF6H, EINECS 227-777-0, MFCD00064284, 2-OCTANOL L-FORM, 2-OCTANOL, L-, L(-)-2-Octanol, (-)-2-OCTANOL, (R)-1-METHYLHEPTANOL, L-(-)-OCTAN-2-OL, 2-OCTANOL L-FORM [MI], DTXSID80884209, (R)-(-)-2-OCTYL ALCOHOL, 2-Octanol #, r-(-)-2-octanol, UNII-2SHB67XF6H, lOctan2ol, r-2-octanol, 4128-32-9, 2Octanol, (theta), (R)()2Octanol, 2Octanol, (2R), (R)-(-)-octan-2-ol, SCHEMBL620100, CHEBI:37871, DTXCID301023664, AC1155, LMFA05000547, AKOS015840004, DS-4367, DB-203473, CS-0140572, NS00125323, O0145, (R)-(-)-2-Octanol, for chiral derivatization, 99%, Q21546980, 51003-19-1 |
|---|---|
| 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 | (2R)-octan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJWFXCIHNDVPSH-MRVPVSSYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.471 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.995 |
| Compound Name | 2-Octanol, (2R)- |
| 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 | -2.1444322 |
| Inchi | InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1 |
| Smiles | CCCCCC[C@@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients