5,10-Nonacosanediol
PubChem CID: 13797568
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| Compound Synonyms | 5,10-nonacosandiol, 5,10-Nonacosanediol, SCHEMBL546841, 51995-92-7, DB-212956 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCC))))O))))))O |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosane-5,10-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H60O2 |
| Inchi Key | DOWKETVLGQEPMI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 26.0 |
| Synonyms | nonacosane-5,10-diol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 5,10-Nonacosanediol |
| Exact Mass | 440.459 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.459 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 440.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(31)27-23-22-26-28(30)24-6-4-2/h28-31H,3-27H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(CCCCC(CCCC)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Cupressus Sempervirens (Plant) Rel Props:Reference:ISBN:9788185042114