[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane

C37H64O3Si2 — CID 4098651

IUPAC[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane
SMILESCCOC(c1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C37H64O3Si2/c1-20-38-31(25-21-27(34(2,3)4)32(39-41(14,15)16)28(22-25)35(5,6)7)26-23-29(36(8,9)10)33(40-42(17,18)19)30(24-26)37(11,12)13/h21-24,31H,20H2,1-19H3
InChIKeyXYJFWGBDBONCPR-UHFFFAOYSA-N
MW613.09 g/mol
LogP11.43
Rot. Bonds8

About [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane

[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane (PubChem CID 4098651) has the molecular formula C37H64O3Si2 and a molecular weight of 613.09 g/mol. Its IUPAC name is [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane
PubChem CID4098651
Molecular FormulaC37H64O3Si2
Molecular Weight613.09 g/mol
Exact Mass612.44
IUPAC Name[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane
SMILESCCOC(c1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C37H64O3Si2/c1-20-38-31(25-21-27(34(2,3)4)32(39-41(14,15)16)28(22-25)35(5,6)7)26-23-29(36(8,9)10)33(40-42(17,18)19)30(24-26)37(11,12)13/h21-24,31H,20H2,1-19H3
InChIKeyXYJFWGBDBONCPR-UHFFFAOYSA-N
XLogP11.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.09
LogP ≤ 511.43
H-Bond Donors ≤ 50
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 [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane?
The IUPAC name of [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane (CID 4098651) is [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane.
What is the SMILES notation for [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane?
The canonical SMILES for [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane is CCOC(c1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O[Si](C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane?
The InChIKey is XYJFWGBDBONCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H64O3Si2/c1-20-38-31(25-21-27(34(2,3)4)32(39-41(14,15)16)28(22-25)35(5,6)7)26-23-29(36(8,9)10)33(40-42(17,18)19)30(24-26)37(11,12)13/h21-24,31H,20H2,1-19H3.
What are the key properties of [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane?
[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane has a molecular weight of 613.09 g/mol, XLogP of 11.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-trimethylsilyloxyphenyl)-ethoxymethyl]phenoxy]-trimethylsilane is sourced from PubChem (CID 4098651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).