27-Methyl-1,3-octacosanediol
PubChem CID: 14213362
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| Compound Synonyms | 27-methyl-1,3-octacosanediol |
|---|---|
| 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 | OCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C)))))))))))))))))))))))))O |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 27-methyloctacosane-1,3-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H60O2 |
| Inchi Key | LNVQHWPPLCJFEL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 26.0 |
| Synonyms | 27-methyloctacosane-1,3-diol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 27-Methyl-1,3-octacosanediol |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C29H60O2/c1-28(2)24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-29(31)26-27-30/h28-31H,3-27H2,1-2H3 |
| Smiles | CC(C)CCCCCCCCCCCCCCCCCCCCCCCC(CCO)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 Melochia Corchorifolia (Plant) Rel Props:Reference:ISBN:9770972795006