2,6,10,14-Tetramethyl-2-hexadecene
PubChem CID: 521742
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| Compound Synonyms | 2,6,10,14-Tetramethyl-2-hexadecene, 2-Hexadecene, 2,6,10,14-tetramethyl-, 56554-34-8, DTXSID20334718, 2-Phytene, DTXCID70285807, VUODLTHTSSVQSK-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Phytane diterpenoids |
| Deep Smiles | CCCCCCCCCCCCCC=CC)C)))))C)))))C)))))C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Diterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10,14-tetramethylhexadec-2-ene |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40 |
| Inchi Key | VUODLTHTSSVQSK-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 2,6,10,14-tetramethyl-2-hexadecene |
| Esol Class | Poorly soluble |
| Functional Groups | CC=C(C)C |
| Compound Name | 2,6,10,14-Tetramethyl-2-hexadecene |
| Exact Mass | 280.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.313 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 280.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h11,18-20H,7-10,12-16H2,1-6H3 |
| Smiles | CCC(C)CCCC(C)CCCC(C)CCC=C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965