ethoxysilane;hexadecyl(trimethoxy)silane

C21H50O4Si2 — CID 162057078

IUPACethoxysilane;hexadecyl(trimethoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCO[SiH3]
InChIInChI=1S/C19H42O3Si.C2H8OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4;1-2-3-4/h5-19H2,1-4H3;2H2,1,4H3
InChIKeyYZICGOKLFFZYMF-UHFFFAOYSA-N
MW422.80 g/mol
LogP5.65
Rot. Bonds19

About ethoxysilane;hexadecyl(trimethoxy)silane

ethoxysilane;hexadecyl(trimethoxy)silane (PubChem CID 162057078) has the molecular formula C21H50O4Si2 and a molecular weight of 422.80 g/mol. Its IUPAC name is ethoxysilane;hexadecyl(trimethoxy)silane.

Molecular Properties

Compound Nameethoxysilane;hexadecyl(trimethoxy)silane
PubChem CID162057078
Molecular FormulaC21H50O4Si2
Molecular Weight422.80 g/mol
Exact Mass422.32
IUPAC Nameethoxysilane;hexadecyl(trimethoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCO[SiH3]
InChIInChI=1S/C19H42O3Si.C2H8OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4;1-2-3-4/h5-19H2,1-4H3;2H2,1,4H3
InChIKeyYZICGOKLFFZYMF-UHFFFAOYSA-N
XLogP5.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.80
LogP ≤ 55.65
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

hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
dodecyl(trimethoxy)silane;λ2-plumbane
CID 175120013
azane;trimethoxy(pentyl)silane
CID 19608931
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
dodecyl-diethoxy-methoxysilane
CID 141483107
decyl(trimethoxy)silane;trimethoxysilane
CID 158226172
[dimethoxy(octyl)silyl]oxy-[dodecyl(dimethoxy)silyl]oxy-methoxy-octylsilane
CID 168727663

Frequently Asked Questions

What is the IUPAC name of ethoxysilane;hexadecyl(trimethoxy)silane?
The IUPAC name of ethoxysilane;hexadecyl(trimethoxy)silane (CID 162057078) is ethoxysilane;hexadecyl(trimethoxy)silane.
What is the SMILES notation for ethoxysilane;hexadecyl(trimethoxy)silane?
The canonical SMILES for ethoxysilane;hexadecyl(trimethoxy)silane is CCCCCCCCCCCCCCCC[Si](OC)(OC)OC.CCO[SiH3].
What is the InChIKey of ethoxysilane;hexadecyl(trimethoxy)silane?
The InChIKey is YZICGOKLFFZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O3Si.C2H8OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4;1-2-3-4/h5-19H2,1-4H3;2H2,1,4H3.
What are the key properties of ethoxysilane;hexadecyl(trimethoxy)silane?
ethoxysilane;hexadecyl(trimethoxy)silane has a molecular weight of 422.80 g/mol, XLogP of 5.65, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysilane;hexadecyl(trimethoxy)silane is sourced from PubChem (CID 162057078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).