tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane

C29H46O3Si2 — CID 21224724

IUPACtert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane
SMILESC=C(OC(CO[Si](C)(C)C(C)(C)C)c1ccccc1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C29H46O3Si2/c1-23(26-19-15-16-24(20-26)21-30-33(8,9)28(2,3)4)32-27(25-17-13-12-14-18-25)22-31-34(10,11)29(5,6)7/h12-20,27H,1,21-22H2,2-11H3
InChIKeyHDSCXSDNRVRBJW-UHFFFAOYSA-N
MW498.86 g/mol
LogP8.96
Rot. Bonds10

About tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane

tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane (PubChem CID 21224724) has the molecular formula C29H46O3Si2 and a molecular weight of 498.86 g/mol. Its IUPAC name is tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane
PubChem CID21224724
Molecular FormulaC29H46O3Si2
Molecular Weight498.86 g/mol
Exact Mass498.30
IUPAC Nametert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane
SMILESC=C(OC(CO[Si](C)(C)C(C)(C)C)c1ccccc1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C29H46O3Si2/c1-23(26-19-15-16-24(20-26)21-30-33(8,9)28(2,3)4)32-27(25-17-13-12-14-18-25)22-31-34(10,11)29(5,6)7/h12-20,27H,1,21-22H2,2-11H3
InChIKeyHDSCXSDNRVRBJW-UHFFFAOYSA-N
XLogP8.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.86
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane (CID 21224724) is tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane is C=C(OC(CO[Si](C)(C)C(C)(C)C)c1ccccc1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane?
The InChIKey is HDSCXSDNRVRBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46O3Si2/c1-23(26-19-15-16-24(20-26)21-30-33(8,9)28(2,3)4)32-27(25-17-13-12-14-18-25)22-31-34(10,11)29(5,6)7/h12-20,27H,1,21-22H2,2-11H3.
What are the key properties of tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane?
tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane has a molecular weight of 498.86 g/mol, XLogP of 8.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane is sourced from PubChem (CID 21224724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).