2-Octanol, (2S)-
PubChem CID: 2723888
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| Compound Synonyms | (S)-Octan-2-ol, (S)-(+)-2-Octanol, 6169-06-8, (2S)-octan-2-ol, (S)-2-octanol, 2-Octanol, (2S)-, (2S)-2-octanol, d-Octan-2-ol, d-2-octanol, 2-Octanol, (S)-, D(+)-2-Octanol, 2-Octanol (S), MFCD00064283, (+)-2-octanol, 2-OCTANOL D-FORM, (2S)-OCTANOL, 2855UV552L, 2-OCTANOL, D-, (S)-(+)-Hexylmethylcarbinol, (S)-2-OCTYL ALCOHOL, D-(+)-OCTAN-2-OL, 2-OCTANOL D-FORM [MI], CHEBI:37870, DTXSID20880644, (S)-1-METHYLHEPTYL ALCOHOL, EINECS 228-213-6, (S)-(+)-2-OCTYL ALCOHOL, 2-OCTANOL, (S)-(+)-, 2-Octanol #, (S)-(+)-Octanol, S-(+)-2-Octanol, dOctan2ol, 2Octanol (S), 1(S)-methylheptanol, 2Octanol, (S), 2Octanol, (2S), (S)-(-)-2-octanol, (S)-(+)-octan-2-ol, SCHEMBL619761, UNII-2855UV552L, DTXCID501022012, (S)-(+)-2-Octanol, 99%, LMFA05000551, AKOS015840328, AKOS015889263, AS-56576, CS-0140577, NS00096154, O0144, (S)-(+)-2-Octanol, for chiral derivatization, D81747, Q27117297 |
|---|---|
| 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 | (2S)-octan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C8H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJWFXCIHNDVPSH-QMMMGPOBSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.709 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.827 |
| Compound Name | 2-Octanol, (2S)- |
| 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-/m0/s1 |
| Smiles | CCCCCC[C@H](C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients