(2E,8E)-10-hydroxypentadeca-2,8-dien-4,6-diynal
PubChem CID: 14841158
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| Ghose Rule | True |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CCCCCC/C=C/C#CC#C/C=C/C=O))))))))))O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,8E)-10-hydroxypentadeca-2,8-dien-4,6-diynal |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H18O2 |
| Inchi Key | DKHGWZAGTJTORV-QLVLWNPDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | saikodiyne b |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C#CC#C/C=C/C=O, CO |
| Compound Name | (2E,8E)-10-hydroxypentadeca-2,8-dien-4,6-diynal |
| Exact Mass | 230.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 230.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H18O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13-15,17H,2-3,9,12H2,1H3/b11-8+,13-10+ |
| Smiles | CCCCCC(/C=C/C#CC#C/C=C/C=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Reference:ISBN:9788172362089; ISBN:9788185042145