tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane

C27H44O3Si2 — CID 57099550

IUPACtert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(OCc2ccccc2)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H44O3Si2/c1-26(2,3)31(7,8)29-20-23-17-14-18-25(28-19-22-15-12-11-13-16-22)24(23)21-30-32(9,10)27(4,5)6/h11-18H,19-21H2,1-10H3
InChIKeyMISZRYBEJDKQEG-UHFFFAOYSA-N
MW472.82 g/mol
LogP8.31
Rot. Bonds9

About tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane (PubChem CID 57099550) has the molecular formula C27H44O3Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
PubChem CID57099550
Molecular FormulaC27H44O3Si2
Molecular Weight472.82 g/mol
Exact Mass472.28
IUPAC Nametert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(OCc2ccccc2)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H44O3Si2/c1-26(2,3)31(7,8)29-20-23-17-14-18-25(28-19-22-15-12-11-13-16-22)24(23)21-30-32(9,10)27(4,5)6/h11-18H,19-21H2,1-10H3
InChIKeyMISZRYBEJDKQEG-UHFFFAOYSA-N
XLogP8.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxyphenyl]ethanol
CID 76807098
tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
CID 11197121
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid
CID 22014377
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
CID 532661
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
(2R)-2-[(S)-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-prop-2-enoxyphenyl]-triethylsilyloxymethyl]-1-[3-phenylmethoxy-2-(prop-2-enoxymethyl)phenyl]nonan-1-one
CID 56593573
(3R,5S,6S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[(2-phenylmethoxybenzoyl)amino]heptanoic acid
CID 11354661
tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane
CID 19033989
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane (CID 57099550) is tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cccc(OCc2ccccc2)c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane?
The InChIKey is MISZRYBEJDKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O3Si2/c1-26(2,3)31(7,8)29-20-23-17-14-18-25(28-19-22-15-12-11-13-16-22)24(23)21-30-32(9,10)27(4,5)6/h11-18H,19-21H2,1-10H3.
What are the key properties of tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane has a molecular weight of 472.82 g/mol, XLogP of 8.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 57099550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).