1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone

C36H42O6Si — CID 10555524

IUPAC1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(OC)c(OC)cc2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC
InChIInChI=1S/C36H42O6Si/c1-36(2,3)43(28-14-10-8-11-15-28,29-16-12-9-13-17-29)42-21-20-27-24-34(40-6)35(41-7)25-30(27)31(37)22-26-18-19-32(38-4)33(23-26)39-5/h8-19,23-25H,20-22H2,1-7H3
InChIKeyXTEUEFCMLOEWIF-UHFFFAOYSA-N
MW598.81 g/mol
LogP6.27
Rot. Bonds13

About 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone

1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 10555524) has the molecular formula C36H42O6Si and a molecular weight of 598.81 g/mol. Its IUPAC name is 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID10555524
Molecular FormulaC36H42O6Si
Molecular Weight598.81 g/mol
Exact Mass598.28
IUPAC Name1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(OC)c(OC)cc2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC
InChIInChI=1S/C36H42O6Si/c1-36(2,3)43(28-14-10-8-11-15-28,29-16-12-9-13-17-29)42-21-20-27-24-34(40-6)35(41-7)25-30(27)31(37)22-26-18-19-32(38-4)33(23-26)39-5/h8-19,23-25H,20-22H2,1-7H3
InChIKeyXTEUEFCMLOEWIF-UHFFFAOYSA-N
XLogP6.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.81
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone with MolForge

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Related Compounds

[4-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)but-2-enyl]-2-methoxyphenyl] trifluoromethanesulfonate
CID 10627315
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
1-(2-fluoro-4,5-dimethoxyphenyl)-2-phenylethanone
CID 62866029
2-(3,4-dimethoxyphenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 113091742
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685647
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
4-(3,4-dimethoxyphenyl)-2,2-dimethylbutanoic acid
CID 65298131
tert-butyl-[2-[2-ethynyl-4,5-dimethoxy-3-(4-methoxyphenyl)phenyl]ethoxy]-diphenylsilane
CID 11028031
1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone (CID 10555524) is 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(OC)c(OC)cc2CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1OC.
What is the InChIKey of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is XTEUEFCMLOEWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O6Si/c1-36(2,3)43(28-14-10-8-11-15-28,29-16-12-9-13-17-29)42-21-20-27-24-34(40-6)35(41-7)25-30(27)31(37)22-26-18-19-32(38-4)33(23-26)39-5/h8-19,23-25H,20-22H2,1-7H3.
What are the key properties of 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone?
1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 598.81 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,5-dimethoxyphenyl]-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 10555524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).