4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile

C15H39NO4Si5 — CID 22886236

IUPAC4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCC#N)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H39NO4Si5/c1-21(2,3)17-23(7,8)19-25(11,15-13-12-14-16)20-24(9,10)18-22(4,5)6/h12-13,15H2,1-11H3
InChIKeyLYYSJMPQWTUPPB-UHFFFAOYSA-N
MW437.91 g/mol
LogP5.50
Rot. Bonds11

About 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile

4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile (PubChem CID 22886236) has the molecular formula C15H39NO4Si5 and a molecular weight of 437.91 g/mol. Its IUPAC name is 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile
PubChem CID22886236
Molecular FormulaC15H39NO4Si5
Molecular Weight437.91 g/mol
Exact Mass437.17
IUPAC Name4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCC#N)O[Si](C)(C)O[Si](C)(C)C
InChIInChI=1S/C15H39NO4Si5/c1-21(2,3)17-23(7,8)19-25(11,15-13-12-14-16)20-24(9,10)18-22(4,5)6/h12-13,15H2,1-11H3
InChIKeyLYYSJMPQWTUPPB-UHFFFAOYSA-N
XLogP5.50
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.91
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile?
The IUPAC name of 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile (CID 22886236) is 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile.
What is the SMILES notation for 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile?
The canonical SMILES for 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCC#N)O[Si](C)(C)O[Si](C)(C)C.
What is the InChIKey of 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile?
The InChIKey is LYYSJMPQWTUPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H39NO4Si5/c1-21(2,3)17-23(7,8)19-25(11,15-13-12-14-16)20-24(9,10)18-22(4,5)6/h12-13,15H2,1-11H3.
What are the key properties of 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile?
4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile has a molecular weight of 437.91 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-methylsilyl]butanenitrile is sourced from PubChem (CID 22886236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).