3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane

C19H44N2O4Si4 — CID 20602894

IUPAC3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
SMILESCOCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCn1ccnc1)O[Si](C)(C)C
InChIInChI=1S/C19H44N2O4Si4/c1-22-16-10-11-17-28(8,23-26(2,3)4)25-29(9,24-27(5,6)7)18-12-14-21-15-13-20-19-21/h13,15,19H,10-12,14,16-18H2,1-9H3
InChIKeyWTXBLCPFLGIETE-UHFFFAOYSA-N
MW476.92 g/mol
LogP5.56
Rot. Bonds15

About 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane

3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane (PubChem CID 20602894) has the molecular formula C19H44N2O4Si4 and a molecular weight of 476.92 g/mol. Its IUPAC name is 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
PubChem CID20602894
Molecular FormulaC19H44N2O4Si4
Molecular Weight476.92 g/mol
Exact Mass476.24
IUPAC Name3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
SMILESCOCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCn1ccnc1)O[Si](C)(C)C
InChIInChI=1S/C19H44N2O4Si4/c1-22-16-10-11-17-28(8,23-26(2,3)4)25-29(9,24-27(5,6)7)18-12-14-21-15-13-20-19-21/h13,15,19H,10-12,14,16-18H2,1-9H3
InChIKeyWTXBLCPFLGIETE-UHFFFAOYSA-N
XLogP5.56
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.92
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane
CID 159351799
4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
CID 23600219
1-(2-methoxyethyl)imidazole
CID 14366840
1-(3-imidazol-1-ylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974967
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
CID 110913907
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
triethoxy(3-imidazol-1-ylpropyl)silane
CID 3017411
1-(13-ethoxytridecyl)imidazole
CID 145255635
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
The IUPAC name of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane (CID 20602894) is 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane.
What is the SMILES notation for 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
The canonical SMILES for 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane is COCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCn1ccnc1)O[Si](C)(C)C.
What is the InChIKey of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
The InChIKey is WTXBLCPFLGIETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44N2O4Si4/c1-22-16-10-11-17-28(8,23-26(2,3)4)25-29(9,24-27(5,6)7)18-12-14-21-15-13-20-19-21/h13,15,19H,10-12,14,16-18H2,1-9H3.
What are the key properties of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane has a molecular weight of 476.92 g/mol, XLogP of 5.56, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane is sourced from PubChem (CID 20602894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).