tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
PubChem CID: 5386546
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| Compound Synonyms | NSC613758, CHEMBL478928, NSC-613758, 109971-68-8 |
|---|---|
| Topological Polar Surface Area | 55.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 743.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Is Pains | False |
| Molecular Formula | C30H48O6Si2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIQSNCUTZNZOQE-NXVVXOECSA-N |
| Fcsp3 | 0.5333333333333333 |
| Rotatable Bond Count | 12.0 |
| Compound Name | tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 560.299 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 560.299 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 560.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C30H48O6Si2/c1-29(2,3)37(11,12)35-26-22(16-15-21-19-24(32-8)27(34-10)25(20-21)33-9)17-18-23(31-7)28(26)36-38(13,14)30(4,5)6/h15-20H,1-14H3/b16-15- |
| Smiles | CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1O[Si](C)(C)C(C)(C)C)OC)/C=C\C2=CC(=C(C(=C2)OC)OC)OC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Combretum Caffrum (Plant) Rel Props:Source_db:cmaup_ingredients