4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane

C₉H₂₀BrClO₂Si — CID 141486551

About 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane

4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane (PubChem CID 141486551) has the molecular formula C₉H₂₀BrClO₂Si and a molecular weight of 303.70 g/mol. Its IUPAC name is 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane.

Molecular Properties

• Compound Name: 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
• PubChem CID: 141486551
• Molecular Formula: C₉H₂₀BrClO₂Si
• Molecular Weight: 303.70 g/mol
• Exact Mass: 302.01
• IUPAC Name: 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane
• SMILES: CCO[Si](C)(CCCCBr)OC(C)Cl
• InChI: InChI=1S/C9H20BrClO2Si/c1-4-12-14(3,13-9(2)11)8-6-5-7-10/h9H,4-8H2,1-3H3
• InChIKey: ZLDKNHJUSXWOMM-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.70
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?

The IUPAC name of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane (CID 141486551) is 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane.

What is the SMILES notation for 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?

The canonical SMILES for 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane is CCO[Si](C)(CCCCBr)OC(C)Cl.

What is the InChIKey of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?

The InChIKey is ZLDKNHJUSXWOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrClO2Si/c1-4-12-14(3,13-9(2)11)8-6-5-7-10/h9H,4-8H2,1-3H3.

What are the key properties of 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane?

4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane has a molecular weight of 303.70 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromobutyl-(1-chloroethoxy)-ethoxy-methylsilane is sourced from PubChem (CID 141486551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141486551 — identifiers, structure, computed properties (public domain)

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