[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane

C24H46O2Si2 — CID 57101826

IUPAC[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane
SMILESCCCC(C)(C)c1cc(O[Si](C)(C)C)c(C(C)(C)CCC)cc1O[Si](C)(C)C
InChIInChI=1S/C24H46O2Si2/c1-13-15-23(3,4)19-17-22(26-28(10,11)12)20(24(5,6)16-14-2)18-21(19)25-27(7,8)9/h17-18H,13-16H2,1-12H3
InChIKeyBEOHGPJBYUDTHK-UHFFFAOYSA-N
MW422.80 g/mol
LogP8.27
Rot. Bonds10

About [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane

[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane (PubChem CID 57101826) has the molecular formula C24H46O2Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane.

Molecular Properties

Compound Name[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane
PubChem CID57101826
Molecular FormulaC24H46O2Si2
Molecular Weight422.80 g/mol
Exact Mass422.30
IUPAC Name[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane
SMILESCCCC(C)(C)c1cc(O[Si](C)(C)C)c(C(C)(C)CCC)cc1O[Si](C)(C)C
InChIInChI=1S/C24H46O2Si2/c1-13-15-23(3,4)19-17-22(26-28(10,11)12)20(24(5,6)16-14-2)18-21(19)25-27(7,8)9/h17-18H,13-16H2,1-12H3
InChIKeyBEOHGPJBYUDTHK-UHFFFAOYSA-N
XLogP8.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 58.27
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 [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane?
The IUPAC name of [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane (CID 57101826) is [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane.
What is the SMILES notation for [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane?
The canonical SMILES for [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane is CCCC(C)(C)c1cc(O[Si](C)(C)C)c(C(C)(C)CCC)cc1O[Si](C)(C)C.
What is the InChIKey of [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane?
The InChIKey is BEOHGPJBYUDTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2Si2/c1-13-15-23(3,4)19-17-22(26-28(10,11)12)20(24(5,6)16-14-2)18-21(19)25-27(7,8)9/h17-18H,13-16H2,1-12H3.
What are the key properties of [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane?
[2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane has a molecular weight of 422.80 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(2-methylpentan-2-yl)-4-trimethylsilyloxyphenoxy]-trimethylsilane is sourced from PubChem (CID 57101826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).