(17S)-pentatriacont-1-en-17-ol
PubChem CID: 162880162
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (17S)-pentatriacont-1-en-17-ol |
| Prediction Hob | 0.0 |
| Xlogp | 16.8 |
| Molecular Formula | C35H70O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIGABSSITZRXBD-PGUFJCEWSA-N |
| Fcsp3 | 0.9428571428571428 |
| Logs | -7.817 |
| Rotatable Bond Count | 32.0 |
| Logd | 5.235 |
| Compound Name | (17S)-pentatriacont-1-en-17-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.543 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.543 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 506.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -11.429852800000004 |
| Inchi | InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h4,35-36H,2-3,5-34H2,1H3/t35-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCCCCCCCC=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Dissitum (Plant) Rel Props:Source_db:cmaup_ingredients