Hentriacontan-7-ol
PubChem CID: 53704224
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| Compound Synonyms | hentriacontan-7-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC))))))O |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 314.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hentriacontan-7-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C31H64O |
| Inchi Key | BWACLLYTPDGGBG-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 28.0 |
| Synonyms | hentriacontan-7-ol |
| Esol Class | Insoluble |
| Functional Groups | CO |
| Compound Name | Hentriacontan-7-ol |
| Exact Mass | 452.496 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.496 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 452.8 |
| 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/C31H64O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-31(32)29-27-8-6-4-2/h31-32H,3-30H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC(CCCCCC)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 Tamarix Dioica (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042145