2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane

C16H26O3Si — CID 154265735

IUPAC2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane
SMILESC=Cc1ccccc1CCO[SiH2]CC(OCC)OCC
InChIInChI=1S/C16H26O3Si/c1-4-14-9-7-8-10-15(14)11-12-19-20-13-16(17-5-2)18-6-3/h4,7-10,16H,1,5-6,11-13,20H2,2-3H3
InChIKeyAMOFFCWMKZOSMM-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.79
Rot. Bonds11

About 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane

2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane (PubChem CID 154265735) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane.

Molecular Properties

Compound Name2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane
PubChem CID154265735
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane
SMILESC=Cc1ccccc1CCO[SiH2]CC(OCC)OCC
InChIInChI=1S/C16H26O3Si/c1-4-14-9-7-8-10-15(14)11-12-19-20-13-16(17-5-2)18-6-3/h4,7-10,16H,1,5-6,11-13,20H2,2-3H3
InChIKeyAMOFFCWMKZOSMM-UHFFFAOYSA-N
XLogP2.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.79
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane?
The IUPAC name of 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane (CID 154265735) is 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane.
What is the SMILES notation for 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane?
The canonical SMILES for 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane is C=Cc1ccccc1CCO[SiH2]CC(OCC)OCC.
What is the InChIKey of 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane?
The InChIKey is AMOFFCWMKZOSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-4-14-9-7-8-10-15(14)11-12-19-20-13-16(17-5-2)18-6-3/h4,7-10,16H,1,5-6,11-13,20H2,2-3H3.
What are the key properties of 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane?
2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane has a molecular weight of 294.47 g/mol, XLogP of 2.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethyl-[2-(2-ethenylphenyl)ethoxy]silane is sourced from PubChem (CID 154265735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).