Triacontane-1,30-diol
PubChem CID: 543982
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| Compound Synonyms | triacontane-1,30-diol, 1,30-Triacontanediol, SCHEMBL2355465, ZOIJRPSLRHKPEH-UHFFFAOYSA-N |
|---|---|
| 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 | OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | triacontane-1,30-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 13.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H62O2 |
| Inchi Key | ZOIJRPSLRHKPEH-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 29.0 |
| Synonyms | 1,30-triacontanediol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | Triacontane-1,30-diol |
| 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/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32/h31-32H,1-30H2 |
| Smiles | C(CCCCCCCCCCCCCCCO)CCCCCCCCCCCCCCO |
| 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:9788172360818