diethyl diethynyl silicate

C8H12O4Si — CID 59235977

IUPACdiethyl diethynyl silicate
SMILESC#CO[Si](OC#C)(OCC)OCC
InChIInChI=1S/C8H12O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h1-2H,7-8H2,3-4H3
InChIKeyJJWJCOGTSHSQGW-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.71
Rot. Bonds6

About diethyl diethynyl silicate

diethyl diethynyl silicate (PubChem CID 59235977) has the molecular formula C8H12O4Si and a molecular weight of 200.27 g/mol. Its IUPAC name is diethyl diethynyl silicate.

Molecular Properties

Compound Namediethyl diethynyl silicate
PubChem CID59235977
Molecular FormulaC8H12O4Si
Molecular Weight200.27 g/mol
Exact Mass200.05
IUPAC Namediethyl diethynyl silicate
SMILESC#CO[Si](OC#C)(OCC)OCC
InChIInChI=1S/C8H12O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h1-2H,7-8H2,3-4H3
InChIKeyJJWJCOGTSHSQGW-UHFFFAOYSA-N
XLogP0.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl diethynyl silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl diethynyl silicate?
The IUPAC name of diethyl diethynyl silicate (CID 59235977) is diethyl diethynyl silicate.
What is the SMILES notation for diethyl diethynyl silicate?
The canonical SMILES for diethyl diethynyl silicate is C#CO[Si](OC#C)(OCC)OCC.
What is the InChIKey of diethyl diethynyl silicate?
The InChIKey is JJWJCOGTSHSQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h1-2H,7-8H2,3-4H3.
What are the key properties of diethyl diethynyl silicate?
diethyl diethynyl silicate has a molecular weight of 200.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl diethynyl silicate is sourced from PubChem (CID 59235977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).