(S)-2-Undecanol
PubChem CID: 12512250
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| Compound Synonyms | (S)-2-Undecanol, 85617-05-6, 2-Undecanol, (S)-, (2S)-UNDECAN-2-OL, 2-Undecanol, (+)-, 2-Undecanol, (2S)-, UNII-1BKP98A66O, Undecan-2S-ol, 1BKP98A66O, FEMA No. 3246, (+)-, (+)-2-Undecanol, SCHEMBL4449373, DTXSID10234854, XMUJIPOFTAHSOK-NSHDSACASA-N, LMFA05000512, AKOS006272405, DB-310409, Q27252200 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-undecan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C11H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMUJIPOFTAHSOK-NSHDSACASA-N |
| Fcsp3 | 1.0 |
| Logs | -3.32 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.522 |
| Compound Name | (S)-2-Undecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 172.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 172.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 172.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2279344 |
| Inchi | InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3/t11-/m0/s1 |
| Smiles | CCCCCCCCC[C@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bistorta Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients