diethoxy-ethynoxy-hydroxysilane

C6H12O4Si — CID 88862832

IUPACdiethoxy-ethynoxy-hydroxysilane
SMILESC#CO[Si](O)(OCC)OCC
InChIInChI=1S/C6H12O4Si/c1-4-8-11(7,9-5-2)10-6-3/h1,7H,5-6H2,2-3H3
InChIKeyPLJBPKAMGIYSQT-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.09
Rot. Bonds5

About diethoxy-ethynoxy-hydroxysilane

diethoxy-ethynoxy-hydroxysilane (PubChem CID 88862832) has the molecular formula C6H12O4Si and a molecular weight of 176.24 g/mol. Its IUPAC name is diethoxy-ethynoxy-hydroxysilane.

Molecular Properties

Compound Namediethoxy-ethynoxy-hydroxysilane
PubChem CID88862832
Molecular FormulaC6H12O4Si
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Namediethoxy-ethynoxy-hydroxysilane
SMILESC#CO[Si](O)(OCC)OCC
InChIInChI=1S/C6H12O4Si/c1-4-8-11(7,9-5-2)10-6-3/h1,7H,5-6H2,2-3H3
InChIKeyPLJBPKAMGIYSQT-UHFFFAOYSA-N
XLogP0.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-ethynoxy-hydroxysilane?
The IUPAC name of diethoxy-ethynoxy-hydroxysilane (CID 88862832) is diethoxy-ethynoxy-hydroxysilane.
What is the SMILES notation for diethoxy-ethynoxy-hydroxysilane?
The canonical SMILES for diethoxy-ethynoxy-hydroxysilane is C#CO[Si](O)(OCC)OCC.
What is the InChIKey of diethoxy-ethynoxy-hydroxysilane?
The InChIKey is PLJBPKAMGIYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4Si/c1-4-8-11(7,9-5-2)10-6-3/h1,7H,5-6H2,2-3H3.
What are the key properties of diethoxy-ethynoxy-hydroxysilane?
diethoxy-ethynoxy-hydroxysilane has a molecular weight of 176.24 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethynoxy-hydroxysilane is sourced from PubChem (CID 88862832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).