Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane

C₉H₂₀O₄Si — CID 141163701

About Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane

Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane (PubChem CID 141163701) has the molecular formula C₉H₂₀O₄Si and a molecular weight of 220.34 g/mol. Its IUPAC name is trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane.

Molecular Properties

• Compound Name: Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane
• PubChem CID: 141163701
• Molecular Formula: C₉H₂₀O₄Si
• Molecular Weight: 220.34 g/mol
• Exact Mass: 220.11
• IUPAC Name: trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane
• SMILES: CO[Si](CCCC1(C)CO1)(OC)OC
• InChI: InChI=1S/C9H20O4Si/c1-9(8-13-9)6-5-7-14(10-2,11-3)12-4/h5-8H2,1-4H3
• InChIKey: AGLXDNBGXLKZSD-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 40.22 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.34
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane?

The IUPAC name of Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane (CID 141163701) is trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane.

What is the SMILES notation for Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane?

The canonical SMILES for Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane is CO[Si](CCCC1(C)CO1)(OC)OC.

What is the InChIKey of Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane?

The InChIKey is AGLXDNBGXLKZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-9(8-13-9)6-5-7-14(10-2,11-3)12-4/h5-8H2,1-4H3.

What are the key properties of Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane?

Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane has a molecular weight of 220.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane is sourced from PubChem (CID 141163701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141163701 — identifiers, structure, computed properties (public domain)

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