ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane

C22H46O4Si3 — CID 21339186

IUPACethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane
SMILESC=CCO[Si](C)(C=C)O[Si](C)(CCCCCCCC)O[Si](C)(CCC)OCC=C
InChIInChI=1S/C22H46O4Si3/c1-9-14-15-16-17-18-22-29(8,25-27(6,13-5)23-19-10-2)26-28(7,21-12-4)24-20-11-3/h10-11,13H,2-3,5,9,12,14-22H2,1,4,6-8H3
InChIKeyGAKUVAORZYHWMY-UHFFFAOYSA-N
MW458.86 g/mol
LogP7.14
Rot. Bonds20

About ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane

ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane (PubChem CID 21339186) has the molecular formula C22H46O4Si3 and a molecular weight of 458.86 g/mol. Its IUPAC name is ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane.

Molecular Properties

Compound Nameethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane
PubChem CID21339186
Molecular FormulaC22H46O4Si3
Molecular Weight458.86 g/mol
Exact Mass458.27
IUPAC Nameethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane
SMILESC=CCO[Si](C)(C=C)O[Si](C)(CCCCCCCC)O[Si](C)(CCC)OCC=C
InChIInChI=1S/C22H46O4Si3/c1-9-14-15-16-17-18-22-29(8,25-27(6,13-5)23-19-10-2)26-28(7,21-12-4)24-20-11-3/h10-11,13H,2-3,5,9,12,14-22H2,1,4,6-8H3
InChIKeyGAKUVAORZYHWMY-UHFFFAOYSA-N
XLogP7.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 57.14
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane?
The IUPAC name of ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane (CID 21339186) is ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane.
What is the SMILES notation for ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane?
The canonical SMILES for ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane is C=CCO[Si](C)(C=C)O[Si](C)(CCCCCCCC)O[Si](C)(CCC)OCC=C.
What is the InChIKey of ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane?
The InChIKey is GAKUVAORZYHWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4Si3/c1-9-14-15-16-17-18-22-29(8,25-27(6,13-5)23-19-10-2)26-28(7,21-12-4)24-20-11-3/h10-11,13H,2-3,5,9,12,14-22H2,1,4,6-8H3.
What are the key properties of ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane?
ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane has a molecular weight of 458.86 g/mol, XLogP of 7.14, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-[methyl-(methyl-prop-2-enoxy-propylsilyl)oxy-octylsilyl]oxy-prop-2-enoxysilane is sourced from PubChem (CID 21339186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).