(4S)-1-cyclohexyltricosan-4-ol
PubChem CID: 163041188
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 320.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-1-cyclohexyltricosan-4-ol |
| Prediction Hob | 0.0 |
| Xlogp | 13.5 |
| Molecular Formula | C29H58O |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOUDABILYBTVKT-LJAQVGFWSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.47 |
| Rotatable Bond Count | 22.0 |
| Logd | 5.13 |
| Compound Name | (4S)-1-cyclohexyltricosan-4-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.449 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.449 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 422.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.5268484 |
| Inchi | InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29(30)27-22-25-28-23-19-18-20-24-28/h28-30H,2-27H2,1H3/t29-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCC[C@@H](CCCC1CCCCC1)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients