(S)-(+)-2-Decanol
PubChem CID: 637571
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| Compound Synonyms | (S)-(+)-2-Decanol, 33758-16-6, 2-Decanol, (2S)-, (2S)-decan-2-ol, (s)-2-decanol, (+)-2-Decanol, 2-Decanol, (+)-, G36DBJ9XLN, UNII-G36DBJ9XLN, (S)-decan-2-ol, SCHEMBL8611185, DTXSID80348457, AKOS006239565 |
|---|---|
| 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 | (2S)-decan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C10H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACUZDYFTRHEKOS-JTQLQIEISA-N |
| Fcsp3 | 1.0 |
| Logs | -5.023 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.623 |
| Compound Name | (S)-(+)-2-Decanol |
| 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 | -2.866767 |
| Inchi | InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3/t10-/m0/s1 |
| Smiles | CCCCCCCC[C@H](C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients