ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane

C27H60O6Si2 — CID 174821163

IUPACethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane
SMILESC=C[Si](OC)(OC)OC.CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C22H48O3Si.C5H12O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23-6-2,24-7-3)25-8-4;1-5-9(6-2,7-3)8-4/h5-22H2,1-4H3;5H,1H2,2-4H3
InChIKeyDJZMIJBKWXHSNT-UHFFFAOYSA-N
MW536.94 g/mol
LogP8.11
Rot. Bonds25

About ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane

ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane (PubChem CID 174821163) has the molecular formula C27H60O6Si2 and a molecular weight of 536.94 g/mol. Its IUPAC name is ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane.

Molecular Properties

Compound Nameethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane
PubChem CID174821163
Molecular FormulaC27H60O6Si2
Molecular Weight536.94 g/mol
Exact Mass536.39
IUPAC Nameethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane
SMILESC=C[Si](OC)(OC)OC.CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C22H48O3Si.C5H12O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23-6-2,24-7-3)25-8-4;1-5-9(6-2,7-3)8-4/h5-22H2,1-4H3;5H,1H2,2-4H3
InChIKeyDJZMIJBKWXHSNT-UHFFFAOYSA-N
XLogP8.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.94
LogP ≤ 58.11
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

heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
dodecyl-diethoxy-methoxysilane
CID 141483107
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
triethoxy(octadecyl)silane;trimethoxy(methyl)silane
CID 174457559
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
tetraethyl silicate;triethoxy(octyl)silane
CID 174926814
ethane;ethenyl(triethoxy)silane;ethenyl(trimethoxy)silane;propane-1-thiol;3-trimethoxysilylpropane-1-thiol
CID 174907219
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044

Frequently Asked Questions

What is the IUPAC name of ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane?
The IUPAC name of ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane (CID 174821163) is ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane.
What is the SMILES notation for ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane?
The canonical SMILES for ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane is C=C[Si](OC)(OC)OC.CCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane?
The InChIKey is DJZMIJBKWXHSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48O3Si.C5H12O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23-6-2,24-7-3)25-8-4;1-5-9(6-2,7-3)8-4/h5-22H2,1-4H3;5H,1H2,2-4H3.
What are the key properties of ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane?
ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane has a molecular weight of 536.94 g/mol, XLogP of 8.11, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethoxy)silane;triethoxy(hexadecyl)silane is sourced from PubChem (CID 174821163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).