tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane

C23H44O2Si2 — CID 11144009

IUPACtert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane
SMILESCCCc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1CC
InChIInChI=1S/C23H44O2Si2/c1-13-15-18-16-19(24-26(9,10)22(3,4)5)17-21(20(18)14-2)25-27(11,12)23(6,7)8/h16-17H,13-15H2,1-12H3
InChIKeyNGTOLDNZKBXDKG-UHFFFAOYSA-N
MW408.78 g/mol
LogP7.97
Rot. Bonds7

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane (PubChem CID 11144009) has the molecular formula C23H44O2Si2 and a molecular weight of 408.78 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane
PubChem CID11144009
Molecular FormulaC23H44O2Si2
Molecular Weight408.78 g/mol
Exact Mass408.29
IUPAC Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane
SMILESCCCc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1CC
InChIInChI=1S/C23H44O2Si2/c1-13-15-18-16-19(24-26(9,10)22(3,4)5)17-21(20(18)14-2)25-27(11,12)23(6,7)8/h16-17H,13-15H2,1-12H3
InChIKeyNGTOLDNZKBXDKG-UHFFFAOYSA-N
XLogP7.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.78
LogP ≤ 57.97
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-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane (CID 11144009) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane is CCCc1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1CC.
What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane?
The InChIKey is NGTOLDNZKBXDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2Si2/c1-13-15-18-16-19(24-26(9,10)22(3,4)5)17-21(20(18)14-2)25-27(11,12)23(6,7)8/h16-17H,13-15H2,1-12H3.
What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane?
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane has a molecular weight of 408.78 g/mol, XLogP of 7.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethyl-5-propylphenoxy]-dimethylsilane is sourced from PubChem (CID 11144009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).