tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane

C23H32O4Si — CID 5388771

IUPACtert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-22-20(25-5)15-18(16-21(22)26-6)10-9-17-11-13-19(24-4)14-12-17/h9-16H,1-8H3/b10-9-
InChIKeyQYELFYNGCBSTLN-KTKRTIGZSA-N
MW400.59 g/mol
LogP6.27
Rot. Bonds7

About tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane

tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane (PubChem CID 5388771) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane
PubChem CID5388771
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Nametert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1
InChIInChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-22-20(25-5)15-18(16-21(22)26-6)10-9-17-11-13-19(24-4)14-12-17/h9-16H,1-8H3/b10-9-
InChIKeyQYELFYNGCBSTLN-KTKRTIGZSA-N
XLogP6.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane (CID 5388771) is tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane is COc1ccc(/C=C\c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)cc1.
What is the InChIKey of tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The InChIKey is QYELFYNGCBSTLN-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-23(2,3)28(7,8)27-22-20(25-5)15-18(16-21(22)26-6)10-9-17-11-13-19(24-4)14-12-17/h9-16H,1-8H3/b10-9-.
What are the key properties of tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane has a molecular weight of 400.59 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,6-dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 5388771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).