3-Nonanol, (3S)-
PubChem CID: 6999726
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (S)-(+)-3-nonanol, (S)-3-Nonanol, (3S)-3-Nonanol, 3-Nonanol, (S)-, 3(S)-Nonanol, (+)-3-Nonanol, 3-Nonanol, (3S)-, 61925-49-3, UNII-5M759G0732, 5M759G0732, DTXSID20426440, (3S)-nonan-3-ol, SCHEMBL6298504, DTXCID50377274, AKOS006272547, Q27262552 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-nonan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C9H20O |
| Prediction Swissadme | 0.0 |
| Inchi Key | GYSCXPVAKHVAAY-VIFPVBQESA-N |
| Fcsp3 | 1.0 |
| Logs | -2.451 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.035 |
| Compound Name | 3-Nonanol, (3S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 144.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4299996000000004 |
| Inchi | InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1 |
| Smiles | CCCCCC[C@H](CC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients