Kotodiol
PubChem CID: 6482485
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| Compound Synonyms | Kotodiol, octacosane-1,1-diol, octacosan-diol, 1,1-nonanediol, CHEMBL469406, SCHEMBL8625704 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | octacosane-1,1-diol |
| Prediction Hob | 0.0 |
| Xlogp | 13.3 |
| Molecular Formula | C28H58O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCVFTNFXNNJYHZ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.919 |
| Rotatable Bond Count | 26.0 |
| Logd | 4.405 |
| Compound Name | Kotodiol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 426.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 426.444 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 426.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.161574000000002 |
| Inchi | InChI=1S/C28H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h28-30H,2-27H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Kotoense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all