4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane

C20H46N2O4Si4 — CID 23600219

IUPAC4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
SMILESCOCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)C(C)CCn1ccnc1
InChIInChI=1S/C20H46N2O4Si4/c1-20(13-15-22-16-14-21-19-22)30(10,25-28(6,7)8)26-29(9,24-27(3,4)5)18-12-11-17-23-2/h14,16,19-20H,11-13,15,17-18H2,1-10H3
InChIKeyJKVPNKPNRPTVEO-UHFFFAOYSA-N
MW490.94 g/mol
LogP5.95
Rot. Bonds15

About 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane

4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane (PubChem CID 23600219) has the molecular formula C20H46N2O4Si4 and a molecular weight of 490.94 g/mol. Its IUPAC name is 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane.

Molecular Properties

Compound Name4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
PubChem CID23600219
Molecular FormulaC20H46N2O4Si4
Molecular Weight490.94 g/mol
Exact Mass490.25
IUPAC Name4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
SMILESCOCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)C(C)CCn1ccnc1
InChIInChI=1S/C20H46N2O4Si4/c1-20(13-15-22-16-14-21-19-22)30(10,25-28(6,7)8)26-29(9,24-27(3,4)5)18-12-11-17-23-2/h14,16,19-20H,11-13,15,17-18H2,1-10H3
InChIKeyJKVPNKPNRPTVEO-UHFFFAOYSA-N
XLogP5.95
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.94
LogP ≤ 55.95
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-methyl-trimethylsilyloxysilane
CID 20602894
3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane
CID 159351799
1-(2-methoxyethyl)imidazole
CID 14366840
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
CID 110913907
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-(3-imidazol-1-ylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974967
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
1-(3,6-dimethylheptyl)imidazole
CID 143241697
1-(7-methyloctyl)imidazole
CID 59001100
2-amino-N-(2-imidazol-1-ylethyl)-4-methoxybutanamide
CID 62476777
1-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]imidazole
CID 176721409

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
The IUPAC name of 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane (CID 23600219) is 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane.
What is the SMILES notation for 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
The canonical SMILES for 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane is COCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)C(C)CCn1ccnc1.
What is the InChIKey of 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
The InChIKey is JKVPNKPNRPTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46N2O4Si4/c1-20(13-15-22-16-14-21-19-22)30(10,25-28(6,7)8)26-29(9,24-27(3,4)5)18-12-11-17-23-2/h14,16,19-20H,11-13,15,17-18H2,1-10H3.
What are the key properties of 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane?
4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane has a molecular weight of 490.94 g/mol, XLogP of 5.95, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane is sourced from PubChem (CID 23600219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).