2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol

C27H44O3Si2 — CID 175597081

IUPAC2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H44O3Si2/c1-25(2,3)31(9,10)29-21-15-13-20(14-16-21)23-18-17-22(19-24(23)27(7,8)28)30-32(11,12)26(4,5)6/h13-19,28H,1-12H3
InChIKeyQUGIXPFRNWXWSI-UHFFFAOYSA-N
MW472.82 g/mol
LogP8.35
Rot. Bonds6

About 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol

2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol (PubChem CID 175597081) has the molecular formula C27H44O3Si2 and a molecular weight of 472.82 g/mol. Its IUPAC name is 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
PubChem CID175597081
Molecular FormulaC27H44O3Si2
Molecular Weight472.82 g/mol
Exact Mass472.28
IUPAC Name2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C27H44O3Si2/c1-25(2,3)31(9,10)29-21-15-13-20(14-16-21)23-18-17-22(19-24(23)27(7,8)28)30-32(11,12)26(4,5)6/h13-19,28H,1-12H3
InChIKeyQUGIXPFRNWXWSI-UHFFFAOYSA-N
XLogP8.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.82
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol (CID 175597081) is 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol is CC(C)(O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol?
The InChIKey is QUGIXPFRNWXWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44O3Si2/c1-25(2,3)31(9,10)29-21-15-13-20(14-16-21)23-18-17-22(19-24(23)27(7,8)28)30-32(11,12)26(4,5)6/h13-19,28H,1-12H3.
What are the key properties of 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol?
2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol has a molecular weight of 472.82 g/mol, XLogP of 8.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl]propan-2-ol is sourced from PubChem (CID 175597081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).