Ethyl dimethyl prop-2-enyl silicate

C₇H₁₆O₄Si — CID 141231651

About Ethyl dimethyl prop-2-enyl silicate

Ethyl dimethyl prop-2-enyl silicate (PubChem CID 141231651) has the molecular formula C₇H₁₆O₄Si and a molecular weight of 192.29 g/mol. Its IUPAC name is ethyl dimethyl prop-2-enyl silicate.

Molecular Properties

• Compound Name: Ethyl dimethyl prop-2-enyl silicate
• PubChem CID: 141231651
• Molecular Formula: C₇H₁₆O₄Si
• Molecular Weight: 192.29 g/mol
• Exact Mass: 192.08
• IUPAC Name: ethyl dimethyl prop-2-enyl silicate
• SMILES: C=CCO[Si](OC)(OC)OCC
• InChI: InChI=1S/C7H16O4Si/c1-5-7-11-12(8-3,9-4)10-6-2/h5H,1,6-7H2,2-4H3
• InChIKey: YFBCLQXDQGMDRQ-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.29
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl dimethyl prop-2-enyl silicate?

The IUPAC name of Ethyl dimethyl prop-2-enyl silicate (CID 141231651) is ethyl dimethyl prop-2-enyl silicate.

What is the SMILES notation for Ethyl dimethyl prop-2-enyl silicate?

The canonical SMILES for Ethyl dimethyl prop-2-enyl silicate is C=CCO[Si](OC)(OC)OCC.

What is the InChIKey of Ethyl dimethyl prop-2-enyl silicate?

The InChIKey is YFBCLQXDQGMDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4Si/c1-5-7-11-12(8-3,9-4)10-6-2/h5H,1,6-7H2,2-4H3.

What are the key properties of Ethyl dimethyl prop-2-enyl silicate?

Ethyl dimethyl prop-2-enyl silicate has a molecular weight of 192.29 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl dimethyl prop-2-enyl silicate is sourced from PubChem (CID 141231651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141231651 — identifiers, structure, computed properties (public domain)

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