[(E)-docos-1-enyl]-triethoxysilane

C28H58O3Si — CID 22660433

IUPAC[(E)-docos-1-enyl]-triethoxysilane
SMILESCCCCCCCCCCCCCCCCCCCC/C=C/[Si](OCC)(OCC)OCC
InChIInChI=1S/C28H58O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32(29-6-2,30-7-3)31-8-4/h27-28H,5-26H2,1-4H3/b28-27+
InChIKeyKGRLFXUFXPWRDW-BYYHNAKLSA-N
MW470.86 g/mol
LogP9.56
Rot. Bonds26

About [(E)-docos-1-enyl]-triethoxysilane

[(E)-docos-1-enyl]-triethoxysilane (PubChem CID 22660433) has the molecular formula C28H58O3Si and a molecular weight of 470.86 g/mol. Its IUPAC name is [(E)-docos-1-enyl]-triethoxysilane.

Molecular Properties

Compound Name[(E)-docos-1-enyl]-triethoxysilane
PubChem CID22660433
Molecular FormulaC28H58O3Si
Molecular Weight470.86 g/mol
Exact Mass470.42
IUPAC Name[(E)-docos-1-enyl]-triethoxysilane
SMILESCCCCCCCCCCCCCCCCCCCC/C=C/[Si](OCC)(OCC)OCC
InChIInChI=1S/C28H58O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32(29-6-2,30-7-3)31-8-4/h27-28H,5-26H2,1-4H3/b28-27+
InChIKeyKGRLFXUFXPWRDW-BYYHNAKLSA-N
XLogP9.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.86
LogP ≤ 59.56
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 [(E)-docos-1-enyl]-triethoxysilane?
The IUPAC name of [(E)-docos-1-enyl]-triethoxysilane (CID 22660433) is [(E)-docos-1-enyl]-triethoxysilane.
What is the SMILES notation for [(E)-docos-1-enyl]-triethoxysilane?
The canonical SMILES for [(E)-docos-1-enyl]-triethoxysilane is CCCCCCCCCCCCCCCCCCCC/C=C/[Si](OCC)(OCC)OCC.
What is the InChIKey of [(E)-docos-1-enyl]-triethoxysilane?
The InChIKey is KGRLFXUFXPWRDW-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H58O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32(29-6-2,30-7-3)31-8-4/h27-28H,5-26H2,1-4H3/b28-27+.
What are the key properties of [(E)-docos-1-enyl]-triethoxysilane?
[(E)-docos-1-enyl]-triethoxysilane has a molecular weight of 470.86 g/mol, XLogP of 9.56, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-docos-1-enyl]-triethoxysilane is sourced from PubChem (CID 22660433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).