(s)-(+)-2-Pentadecanol
PubChem CID: 92170845
Connections displayed (default: 10).
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| Compound Synonyms | (s)-(+)-2-pentadecanol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-pentadecan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C15H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALVGHPMGQNBJRC-HNNXBMFYSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.669 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.064 |
| Compound Name | (s)-(+)-2-Pentadecanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 228.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.678904 |
| Inchi | InChI=1S/C15H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h15-16H,3-14H2,1-2H3/t15-/m0/s1 |
| Smiles | CCCCCCCCCCCCC[C@H](C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients