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

C24H34O5Si — CID 5386557

IUPACtert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H34O5Si/c1-24(2,3)30(8,9)29-20-14-17(12-13-19(20)25-4)10-11-18-15-21(26-5)23(28-7)22(16-18)27-6/h10-16H,1-9H3/b11-10-
InChIKeyUMDKFDJQYNOPRV-KHPPLWFESA-N
MW430.62 g/mol
LogP6.28
Rot. Bonds8

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

tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane (PubChem CID 5386557) has the molecular formula C24H34O5Si and a molecular weight of 430.62 g/mol. Its IUPAC name is tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
PubChem CID5386557
Molecular FormulaC24H34O5Si
Molecular Weight430.62 g/mol
Exact Mass430.22
IUPAC Nametert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H34O5Si/c1-24(2,3)30(8,9)29-20-14-17(12-13-19(20)25-4)10-11-18-15-21(26-5)23(28-7)22(16-18)27-6/h10-16H,1-9H3/b11-10-
InChIKeyUMDKFDJQYNOPRV-KHPPLWFESA-N
XLogP6.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[5-[(Z)-2-(3,4-dimethoxy-5-nitrophenyl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 59904656
tert-butyl-[3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]propoxy]-dimethylsilane
CID 11156035
tert-butyl-[5-[(Z)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900668
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
tert-butyl-[5-[(E)-2-(6,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-2-methoxyphenoxy]-dimethylsilane
CID 50900502
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-triphenyl-λ5-phosphane;tert-butyl-[5-[(Z)-2-[3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethoxyphenyl]ethenyl]-2-methoxyphenoxy]-diphenylsilane
CID 158729815
[5-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]-tert-butyl-diphenylsilane
CID 11635755
(1R,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10766574
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
(5-bromo-2-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 10980049
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane (CID 5386557) is tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
The InChIKey is UMDKFDJQYNOPRV-KHPPLWFESA-N. The full InChI is InChI=1S/C24H34O5Si/c1-24(2,3)30(8,9)29-20-14-17(12-13-19(20)25-4)10-11-18-15-21(26-5)23(28-7)22(16-18)27-6/h10-16H,1-9H3/b11-10-.
What are the key properties of tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane?
tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane has a molecular weight of 430.62 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 5386557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).