Z,E-2-Methyl-3,13-octadecadien-1-ol
PubChem CID: 5364521
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Z,E-2-Methyl-3,13-octadecadien-1-ol, DTXSID901016427, 1019981-83-9, DTXCID601474612, (3Z,13E)-2-Methyl-3,13-octadecadien-1-ol # |
|---|---|
| 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 | CCCC/C=C/CCCCCCCC/C=CCCO))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3Z,13E)-2-methyloctadeca-3,13-dien-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H36O |
| Inchi Key | ZIOOKYHAOBSYOH-NGLZPYLXSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | z,e-2-methyl-3,13-octadecadien-1-ol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, C/C=CC, CO |
| Compound Name | Z,E-2-Methyl-3,13-octadecadien-1-ol |
| Exact Mass | 280.277 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.277 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 280.5 |
| 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/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2)18-20/h6-7,16-17,19-20H,3-5,8-15,18H2,1-2H3/b7-6+,17-16- |
| Smiles | CCCC/C=C/CCCCCCCC/C=C\C(C)CO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006