[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane

C21H50O4Si3 — CID 59027325

IUPAC[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane
SMILESCCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C21H50O4Si3/c1-9-10-11-12-13-14-15-16-17-18-19-26(5,6)25-27(7,8)20-21-28(22-2,23-3)24-4/h9-21H2,1-8H3
InChIKeyQTTPFDVXCBDGIY-UHFFFAOYSA-N
MW450.89 g/mol
LogP7.21
Rot. Bonds19

About [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane

[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane (PubChem CID 59027325) has the molecular formula C21H50O4Si3 and a molecular weight of 450.89 g/mol. Its IUPAC name is [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane
PubChem CID59027325
Molecular FormulaC21H50O4Si3
Molecular Weight450.89 g/mol
Exact Mass450.30
IUPAC Name[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane
SMILESCCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC
InChIInChI=1S/C21H50O4Si3/c1-9-10-11-12-13-14-15-16-17-18-19-26(5,6)25-27(7,8)20-21-28(22-2,23-3)24-4/h9-21H2,1-8H3
InChIKeyQTTPFDVXCBDGIY-UHFFFAOYSA-N
XLogP7.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.89
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

butyl-[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dimethylsilane
CID 59431043
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
hexadecyl-methoxy-dimethylsilane
CID 22228661
methoxy-dimethyl-nonylsilane
CID 58695494
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
trimethoxy(pentacontyl)silane
CID 87930715
dodecyl(trimethoxy)silane;octane
CID 174570785
trimethoxy(undecyl)silane;hydrobromide
CID 172731268

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane?
The IUPAC name of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane (CID 59027325) is [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane.
What is the SMILES notation for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane?
The canonical SMILES for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane is CCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CC[Si](OC)(OC)OC.
What is the InChIKey of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane?
The InChIKey is QTTPFDVXCBDGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50O4Si3/c1-9-10-11-12-13-14-15-16-17-18-19-26(5,6)25-27(7,8)20-21-28(22-2,23-3)24-4/h9-21H2,1-8H3.
What are the key properties of [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane?
[dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane has a molecular weight of 450.89 g/mol, XLogP of 7.21, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-trimethoxysilylethyl)silyl]oxy-dodecyl-dimethylsilane is sourced from PubChem (CID 59027325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).