ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane

C16H34O3Si2 — CID 91735017

IUPACethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane
SMILESC=C[Si](C)(OCCC)O[Si](C)(C=C)OC(C)CCCCC
InChIInChI=1S/C16H34O3Si2/c1-8-12-13-14-16(5)18-21(7,11-4)19-20(6,10-3)17-15-9-2/h10-11,16H,3-4,8-9,12-15H2,1-2,5-7H3
InChIKeyPXPQYPYUNXTIJN-UHFFFAOYSA-N
MW330.62 g/mol
LogP5.01
Rot. Bonds13

About ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane

ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane (PubChem CID 91735017) has the molecular formula C16H34O3Si2 and a molecular weight of 330.62 g/mol. Its IUPAC name is ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane.

Molecular Properties

Compound Nameethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane
PubChem CID91735017
Molecular FormulaC16H34O3Si2
Molecular Weight330.62 g/mol
Exact Mass330.20
IUPAC Nameethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane
SMILESC=C[Si](C)(OCCC)O[Si](C)(C=C)OC(C)CCCCC
InChIInChI=1S/C16H34O3Si2/c1-8-12-13-14-16(5)18-21(7,11-4)19-20(6,10-3)17-15-9-2/h10-11,16H,3-4,8-9,12-15H2,1-2,5-7H3
InChIKeyPXPQYPYUNXTIJN-UHFFFAOYSA-N
XLogP5.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.62
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane?
The IUPAC name of ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane (CID 91735017) is ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane.
What is the SMILES notation for ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane?
The canonical SMILES for ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane is C=C[Si](C)(OCCC)O[Si](C)(C=C)OC(C)CCCCC.
What is the InChIKey of ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane?
The InChIKey is PXPQYPYUNXTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si2/c1-8-12-13-14-16(5)18-21(7,11-4)19-20(6,10-3)17-15-9-2/h10-11,16H,3-4,8-9,12-15H2,1-2,5-7H3.
What are the key properties of ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane?
ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane has a molecular weight of 330.62 g/mol, XLogP of 5.01, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(ethenyl-heptan-2-yloxy-methylsilyl)oxy-methyl-propoxysilane is sourced from PubChem (CID 91735017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).