trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane

C23H36O2Si2 — CID 54547032

IUPACtrimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane
SMILESCCC(CC)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C23H36O2Si2/c1-9-23(10-2,19-11-15-21(16-12-19)24-26(3,4)5)20-13-17-22(18-14-20)25-27(6,7)8/h11-18H,9-10H2,1-8H3
InChIKeyZHFYLFXXVURUAV-UHFFFAOYSA-N
MW400.71 g/mol
LogP7.22
Rot. Bonds8

About trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane

trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane (PubChem CID 54547032) has the molecular formula C23H36O2Si2 and a molecular weight of 400.71 g/mol. Its IUPAC name is trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane
PubChem CID54547032
Molecular FormulaC23H36O2Si2
Molecular Weight400.71 g/mol
Exact Mass400.23
IUPAC Nametrimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane
SMILESCCC(CC)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C23H36O2Si2/c1-9-23(10-2,19-11-15-21(16-12-19)24-26(3,4)5)20-13-17-22(18-14-20)25-27(6,7)8/h11-18H,9-10H2,1-8H3
InChIKeyZHFYLFXXVURUAV-UHFFFAOYSA-N
XLogP7.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.71
LogP ≤ 57.22
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 trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane?
The IUPAC name of trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane (CID 54547032) is trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane.
What is the SMILES notation for trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane?
The canonical SMILES for trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane is CCC(CC)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane?
The InChIKey is ZHFYLFXXVURUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2Si2/c1-9-23(10-2,19-11-15-21(16-12-19)24-26(3,4)5)20-13-17-22(18-14-20)25-27(6,7)8/h11-18H,9-10H2,1-8H3.
What are the key properties of trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane?
trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane has a molecular weight of 400.71 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[3-(4-trimethylsilyloxyphenyl)pentan-3-yl]phenoxy]silane is sourced from PubChem (CID 54547032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).