2-Heptadecanol
PubChem CID: 42263
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| Compound Synonyms | 2-Heptadecanol, heptadecan-2-ol, 16813-18-6, 2-Heptadecanol., 57289-07-3, NSC87606, 2-hydroxyheptadecane, SCHEMBL380053, DTXSID10871268, CHEBI:197400, LMFA05000531, NSC-87606, F87172 |
|---|---|
| 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 | CCCCCCCCCCCCCCCCO)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 145.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadecan-2-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H36O |
| Inchi Key | ZNYQHFLBAPNPRC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 2-heptadecanol |
| Esol Class | Moderately soluble |
| Functional Groups | CO |
| Compound Name | 2-Heptadecanol |
| Exact Mass | 256.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.277 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 256.5 |
| Gi Absorption | True |
| 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/C17H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h17-18H,3-16H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC(C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Dictamnus Albus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699823