tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane

C27H44O2Si2 — CID 15429798

IUPACtert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane
SMILESCC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H44O2Si2/c1-25(2,3)30(9,10)28-23-17-13-21(14-18-23)27(7,8)22-15-19-24(20-16-22)29-31(11,12)26(4,5)6/h13-20H,1-12H3
InChIKeyUBQOPYRGNNTVOC-UHFFFAOYSA-N
MW456.82 g/mol
LogP8.78
Rot. Bonds6

About tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane

tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane (PubChem CID 15429798) has the molecular formula C27H44O2Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane
PubChem CID15429798
Molecular FormulaC27H44O2Si2
Molecular Weight456.82 g/mol
Exact Mass456.29
IUPAC Nametert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane
SMILESCC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H44O2Si2/c1-25(2,3)30(9,10)28-23-17-13-21(14-18-23)27(7,8)22-15-19-24(20-16-22)29-31(11,12)26(4,5)6/h13-20H,1-12H3
InChIKeyUBQOPYRGNNTVOC-UHFFFAOYSA-N
XLogP8.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.82
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane (CID 15429798) is tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane is CC(C)(c1ccc(O[Si](C)(C)C(C)(C)C)cc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane?
The InChIKey is UBQOPYRGNNTVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O2Si2/c1-25(2,3)30(9,10)28-23-17-13-21(14-18-23)27(7,8)22-15-19-24(20-16-22)29-31(11,12)26(4,5)6/h13-20H,1-12H3.
What are the key properties of tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane?
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane has a molecular weight of 456.82 g/mol, XLogP of 8.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]phenoxy]-dimethylsilane is sourced from PubChem (CID 15429798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).