1,17-Heptadecanediol
PubChem CID: 15232793
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| Compound Synonyms | 1,17-Heptadecanediol, heptadecane-1,17-diol, 66577-59-1, 1,17-Dihydroxyheptadecane, SCHEMBL160055, J776U5XE9M, CHEBI:186629, DTXSID901315045, LMFA05000576, WS-03160, E74205 |
|---|---|
| Ghose Rule | True |
| 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 | OCCCCCCCCCCCCCCCCCO |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Description | Occurs in leaf cutin of Limonia acidissima (wood apple). 1,17-Heptadecanediol is found in beverages and fruits. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadecane-1,17-diol |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H36O2 |
| Inchi Key | WNZVVHVYAKZZBU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 16.0 |
| State | Solid |
| Synonyms | 1,17-heptadecanediol, 1, 17-heptadecanediol |
| Substituent Name | Long chain fatty alcohol, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Alcohol, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 1,17-Heptadecanediol |
| Kingdom | Organic compounds |
| Exact Mass | 272.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.272 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 272.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2 |
| Smiles | C(CCCCCCCCO)CCCCCCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Naringi Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138