2-Pentadecyn-1-ol
PubChem CID: 534429
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| Compound Synonyms | 2-Pentadecyn-1-ol, pentadec-2-yn-1-ol, 2834-00-6, DTXSID30274156, 2- pentadecyn-1-ol, 2-pentadecynyl alcohol, SCHEMBL1537343, DTXCID00196558 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCC#CCO |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 184.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentadec-2-yn-1-ol |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H28O |
| Inchi Key | PFHRFJSUAGQBFE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 2-pentadecyn-1-ol |
| Esol Class | Moderately soluble |
| Functional Groups | CC#CC, CO |
| Compound Name | 2-Pentadecyn-1-ol |
| Exact Mass | 224.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.214 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 224.38 |
| Gi Absorption | True |
| 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/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-12,15H2,1H3 |
| Smiles | CCCCCCCCCCCCC#CCO |
| 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 Argania Spinosa (Plant) Rel Props:Reference:https://doi.org/10.1177/1934578x1000500626 - 2. Outgoing r'ship
FOUND_INto/from Lagenaria Siceraria (Plant) Rel Props:Reference:ISBN:9770972795006