[4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane

C29H42O3Si3 — CID 23023041

IUPAC[4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane
SMILESCC(c1ccc(O[Si](C)(C)C)cc1)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C29H42O3Si3/c1-29(23-11-17-26(18-12-23)30-33(2,3)4,24-13-19-27(20-14-24)31-34(5,6)7)25-15-21-28(22-16-25)32-35(8,9)10/h11-22H,1-10H3
InChIKeyUGDBNJKHJUBHIG-UHFFFAOYSA-N
MW522.91 g/mol
LogP8.68
Rot. Bonds9

About [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane

[4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane (PubChem CID 23023041) has the molecular formula C29H42O3Si3 and a molecular weight of 522.91 g/mol. Its IUPAC name is [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane
PubChem CID23023041
Molecular FormulaC29H42O3Si3
Molecular Weight522.91 g/mol
Exact Mass522.24
IUPAC Name[4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane
SMILESCC(c1ccc(O[Si](C)(C)C)cc1)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C29H42O3Si3/c1-29(23-11-17-26(18-12-23)30-33(2,3)4,24-13-19-27(20-14-24)31-34(5,6)7)25-15-21-28(22-16-25)32-35(8,9)10/h11-22H,1-10H3
InChIKeyUGDBNJKHJUBHIG-UHFFFAOYSA-N
XLogP8.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.91
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane?
The IUPAC name of [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane (CID 23023041) is [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane.
What is the SMILES notation for [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane?
The canonical SMILES for [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane is CC(c1ccc(O[Si](C)(C)C)cc1)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane?
The InChIKey is UGDBNJKHJUBHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42O3Si3/c1-29(23-11-17-26(18-12-23)30-33(2,3)4,24-13-19-27(20-14-24)31-34(5,6)7)25-15-21-28(22-16-25)32-35(8,9)10/h11-22H,1-10H3.
What are the key properties of [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane?
[4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane has a molecular weight of 522.91 g/mol, XLogP of 8.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,1-bis(4-trimethylsilyloxyphenyl)ethyl]phenoxy]-trimethylsilane is sourced from PubChem (CID 23023041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).