tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane

C35H38O4Si — CID 11028031

IUPACtert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane
SMILESC#Cc1c(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(OC)c(OC)c1-c1ccc(OC)cc1
InChIInChI=1S/C35H38O4Si/c1-8-31-27(25-32(37-6)34(38-7)33(31)26-19-21-28(36-5)22-20-26)23-24-39-40(35(2,3)4,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h1,9-22,25H,23-24H2,2-7H3
InChIKeyWFAVMUWNNUEXSE-UHFFFAOYSA-N
MW550.77 g/mol
LogP6.48
Rot. Bonds10

About tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane

tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane (PubChem CID 11028031) has the molecular formula C35H38O4Si and a molecular weight of 550.77 g/mol. Its IUPAC name is tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane
PubChem CID11028031
Molecular FormulaC35H38O4Si
Molecular Weight550.77 g/mol
Exact Mass550.25
IUPAC Nametert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane
SMILESC#Cc1c(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(OC)c(OC)c1-c1ccc(OC)cc1
InChIInChI=1S/C35H38O4Si/c1-8-31-27(25-32(37-6)34(38-7)33(31)26-19-21-28(36-5)22-20-26)23-24-39-40(35(2,3)4,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h1,9-22,25H,23-24H2,2-7H3
InChIKeyWFAVMUWNNUEXSE-UHFFFAOYSA-N
XLogP6.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.77
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
CID 10555524
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
tert-butyl-[8-(4-methoxyphenyl)oct-7-ynoxy]-diphenylsilane
CID 10412453
(2S)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-N-[(2,4-dimethoxyphenyl)methyl]butan-2-amine
CID 140800503
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 176837310
[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 154592632
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
CID 59381468
2-[(2R)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxyethanol
CID 142497056
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
2-(2-bromothiophen-3-yl)ethoxy-tert-butyl-diphenylsilane
CID 156828780
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane (CID 11028031) is tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane is C#Cc1c(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(OC)c(OC)c1-c1ccc(OC)cc1.
What is the InChIKey of tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane?
The InChIKey is WFAVMUWNNUEXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O4Si/c1-8-31-27(25-32(37-6)34(38-7)33(31)26-19-21-28(36-5)22-20-26)23-24-39-40(35(2,3)4,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h1,9-22,25H,23-24H2,2-7H3.
What are the key properties of tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane?
tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane has a molecular weight of 550.77 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane is sourced from PubChem (CID 11028031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).