Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one

C₉H₁₈O₄Si — CID 174500991

About Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one

Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one (PubChem CID 174500991) has the molecular formula C₉H₁₈O₄Si and a molecular weight of 218.32 g/mol. Its IUPAC name is ethyl-dimethoxy-methylsilane;3-methyloxet-2-one.

Molecular Properties

• Compound Name: Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one
• PubChem CID: 174500991
• Molecular Formula: C₉H₁₈O₄Si
• Molecular Weight: 218.32 g/mol
• Exact Mass: 218.10
• IUPAC Name: ethyl-dimethoxy-methylsilane;3-methyloxet-2-one
• SMILES: CC1=COC1=O.CC[Si](C)(OC)OC
• InChI: InChI=1S/C5H14O2Si.C4H4O2/c1-5-8(4,6-2)7-3;1-3-2-6-4(3)5/h5H2,1-4H3;2H,1H3
• InChIKey: HNBHXRJGNSPING-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	218.32
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?

The IUPAC name of Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one (CID 174500991) is ethyl-dimethoxy-methylsilane;3-methyloxet-2-one.

What is the SMILES notation for Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?

The canonical SMILES for Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one is CC1=COC1=O.CC[Si](C)(OC)OC.

What is the InChIKey of Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?

The InChIKey is HNBHXRJGNSPING-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14O2Si.C4H4O2/c1-5-8(4,6-2)7-3;1-3-2-6-4(3)5/h5H2,1-4H3;2H,1H3.

What are the key properties of Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one?

Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one has a molecular weight of 218.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl-dimethoxy-methylsilane;3-methyloxet-2-one is sourced from PubChem (CID 174500991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174500991 — identifiers, structure, computed properties (public domain)

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