trans, trans-Farnesol, trimethylsilyl ether
PubChem CID: 5365996
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| Compound Synonyms | trans, trans-Farnesol, trimethylsilyl ether, WMPDMQCCFFSRIM-NXGXIAAHSA-N, Farnesol, (E,E)-, TMS derivative, (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl trimethylsilyl ether # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Farnesane sesquiterpenoids |
| Deep Smiles | C/C=CCC/C=C/CO[Si]C)C)C)))))/C)))))/CCC=CC)C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]silane |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H34OSi |
| Inchi Key | WMPDMQCCFFSRIM-NXGXIAAHSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 2-trans-6-trans-farnesol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C(/C)C, CC=C(C)C, CO[Si](C)(C)C |
| Compound Name | trans, trans-Farnesol, trimethylsilyl ether |
| Exact Mass | 294.238 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.238 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 294.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H34OSi/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-15-19-20(5,6)7/h10,12,14H,8-9,11,13,15H2,1-7H3/b17-12+,18-14+ |
| Smiles | CC(=CCC/C(=C/CC/C(=C/CO[Si](C)(C)C)/C)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | False |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Moschatus (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279