(S)-decan-3-ol
PubChem CID: 10654501
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| Compound Synonyms | (S)-decan-3-ol, 3-Decanol, (S)-, 120523-17-3, (3S)-DECAN-3-OL, (3S)-3-Decanol, SCHEMBL14472843, DTXSID101317211 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-decan-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C10H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ICEQLCZWZXUUIJ-JTQLQIEISA-N |
| Fcsp3 | 1.0 |
| Logs | -2.995 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.321 |
| Compound Name | (S)-decan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 158.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7911669999999997 |
| Inchi | InChI=1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1 |
| Smiles | CCCCCCC[C@H](CC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients