3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane

C22H54N2O6Si5 — CID 159351799

IUPAC3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane
SMILESC.COCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCn1ccnc1)O[Si](C)(OC)O[Si](C)(C)C
InChIInChI=1S/C21H50N2O6Si5.CH4/c1-24-18-12-13-19-32(9,26-30(3,4)5)28-33(10,20-14-16-23-17-15-22-21-23)29-34(11,25-2)27-31(6,7)8;/h15,17,21H,12-14,16,18-20H2,1-11H3;1H4
InChIKeyLHKLDRAKGCTWAF-UHFFFAOYSA-N
MW583.11 g/mol
LogP6.43
Rot. Bonds18

About 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane

3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane (PubChem CID 159351799) has the molecular formula C22H54N2O6Si5 and a molecular weight of 583.11 g/mol. Its IUPAC name is 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane.

Molecular Properties

Compound Name3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane
PubChem CID159351799
Molecular FormulaC22H54N2O6Si5
Molecular Weight583.11 g/mol
Exact Mass582.28
IUPAC Name3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane
SMILESC.COCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCn1ccnc1)O[Si](C)(OC)O[Si](C)(C)C
InChIInChI=1S/C21H50N2O6Si5.CH4/c1-24-18-12-13-19-32(9,26-30(3,4)5)28-33(10,20-14-16-23-17-15-22-21-23)29-34(11,25-2)27-31(6,7)8;/h15,17,21H,12-14,16,18-20H2,1-11H3;1H4
InChIKeyLHKLDRAKGCTWAF-UHFFFAOYSA-N
XLogP6.43
TPSA73.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.11
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
4-imidazol-1-ylbutan-2-yl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-methyl-trimethylsilyloxysilane
CID 23600219
1-(2-methoxyethyl)imidazole
CID 14366840
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]imidazole
CID 66705550
1-(3-imidazol-1-ylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974967
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
[dimethyl(trimethylsilyloxy)silyl]oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methyl-octylsilane
CID 20771462
triethoxy(3-imidazol-1-ylpropyl)silane
CID 3017411
1-(13-ethoxytridecyl)imidazole
CID 145255635
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane?
The IUPAC name of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane (CID 159351799) is 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane.
What is the SMILES notation for 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane?
The canonical SMILES for 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane is C.COCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCn1ccnc1)O[Si](C)(OC)O[Si](C)(C)C.
What is the InChIKey of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane?
The InChIKey is LHKLDRAKGCTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50N2O6Si5.CH4/c1-24-18-12-13-19-32(9,26-30(3,4)5)28-33(10,20-14-16-23-17-15-22-21-23)29-34(11,25-2)27-31(6,7)8;/h15,17,21H,12-14,16,18-20H2,1-11H3;1H4.
What are the key properties of 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane?
3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane has a molecular weight of 583.11 g/mol, XLogP of 6.43, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropyl-(4-methoxybutyl-methyl-trimethylsilyloxysilyl)oxy-(methoxy-methyl-trimethylsilyloxysilyl)oxy-methylsilane;methane is sourced from PubChem (CID 159351799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).