ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane

C21H44O3Si2 — CID 91740164

IUPACethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane
SMILESC=C[Si](C)(OCCCCCCC)O[Si](C)(C=C)OC(CCC)CCCC
InChIInChI=1S/C21H44O3Si2/c1-8-13-15-16-17-20-22-25(6,11-4)24-26(7,12-5)23-21(18-10-3)19-14-9-2/h11-12,21H,4-5,8-10,13-20H2,1-3,6-7H3
InChIKeyCTFCPIWTYSTTIZ-UHFFFAOYSA-N
MW400.75 g/mol
LogP6.96
Rot. Bonds18

About ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane

ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane (PubChem CID 91740164) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane.

Molecular Properties

Compound Nameethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane
PubChem CID91740164
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Nameethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane
SMILESC=C[Si](C)(OCCCCCCC)O[Si](C)(C=C)OC(CCC)CCCC
InChIInChI=1S/C21H44O3Si2/c1-8-13-15-16-17-20-22-25(6,11-4)24-26(7,12-5)23-21(18-10-3)19-14-9-2/h11-12,21H,4-5,8-10,13-20H2,1-3,6-7H3
InChIKeyCTFCPIWTYSTTIZ-UHFFFAOYSA-N
XLogP6.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.96
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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Related Compounds

ethenyl-methyl-octan-4-yloxy-tridecoxysilane
CID 91743291
ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane
CID 91744420
ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane
CID 91743295
ethenyl-methyl-octan-4-yloxy-propoxysilane
CID 91733090
2,4-dimethylpentan-3-yloxy-ethenyl-(ethenyl-methyl-nonoxysilyl)oxy-methylsilane
CID 91741576
2,4-dimethylpentan-3-yloxy-(dodecoxy-ethenyl-methylsilyl)oxy-ethenyl-methylsilane
CID 91743254
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411

Frequently Asked Questions

What is the IUPAC name of ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane?
The IUPAC name of ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane (CID 91740164) is ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane.
What is the SMILES notation for ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane?
The canonical SMILES for ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane is C=C[Si](C)(OCCCCCCC)O[Si](C)(C=C)OC(CCC)CCCC.
What is the InChIKey of ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane?
The InChIKey is CTFCPIWTYSTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-8-13-15-16-17-20-22-25(6,11-4)24-26(7,12-5)23-21(18-10-3)19-14-9-2/h11-12,21H,4-5,8-10,13-20H2,1-3,6-7H3.
What are the key properties of ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane?
ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane has a molecular weight of 400.75 g/mol, XLogP of 6.96, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane is sourced from PubChem (CID 91740164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).