5-Methyl-5-pentacosanol
PubChem CID: 129650615
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| Compound Synonyms | 5-methyl-5-pentacosanol, Grandiflorol, 5-methylpentacosan-5-ol, CHEBI:192147 |
|---|---|
| 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 | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCC))))O)C |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methylpentacosan-5-ol |
| Class | Organooxygen compounds |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 12.0 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H54O |
| Inchi Key | ARDDYMQZJBTFEB-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| State | Solid |
| Synonyms | Grandiflorol, grandiflorol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | 5-Methyl-5-pentacosanol |
| Kingdom | Organic compounds |
| Exact Mass | 382.417 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.417 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 382.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H54O/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-26(3,27)24-7-5-2/h27H,4-25H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCC(C)(CCCC)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Tertiary alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Sesbania Grandiflora (Plant) Rel Props:Reference:ISBN:9780387706375