tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane

C30H48O6Si2 — CID 5386546

IUPACtert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc(OC)c1OC
InChIInChI=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-
InChIKeyRIQSNCUTZNZOQE-NXVVXOECSA-N
MW560.88 g/mol
LogP8.66
Rot. Bonds10

About tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane (PubChem CID 5386546) has the molecular formula C30H48O6Si2 and a molecular weight of 560.88 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
PubChem CID5386546
Molecular FormulaC30H48O6Si2
Molecular Weight560.88 g/mol
Exact Mass560.30
IUPAC Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc(OC)c1OC
InChIInChI=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-
InChIKeyRIQSNCUTZNZOQE-NXVVXOECSA-N
XLogP8.66
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.88
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane (CID 5386546) is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane is COc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc(OC)c1OC.
What is the InChIKey of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The InChIKey is RIQSNCUTZNZOQE-NXVVXOECSA-N. The full InChI is 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-.
What are the key properties of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane has a molecular weight of 560.88 g/mol, XLogP of 8.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 5386546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).