Triacontanediol
PubChem CID: 54525249
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | triacontanediol, SCHEMBL2355464, AKOS025288370 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)O |
| Heavy Atom Count | 32.0 |
| 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 | triacontane-1,1-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H62O2 |
| Inchi Key | YSRGUFACXHZRMY-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | triacontanediol |
| Esol Class | Poorly soluble |
| Functional Groups | CC(O)O |
| Compound Name | Triacontanediol |
| Exact Mass | 454.475 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 454.475 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 454.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H62O2/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(31)32/h30-32H,2-29H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(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 Ammannia Baccifera (Plant) Rel Props:Reference:ISBN:9770972795006