BCNKMGZVQPERNC-UHFFFAOYSA-N

C₂₀H₄₆O₃Si₂ — CID 91721108

About BCNKMGZVQPERNC-UHFFFAOYSA-N

BCNKMGZVQPERNC-UHFFFAOYSA-N (PubChem CID 91721108) has the molecular formula C₂₀H₄₆O₃Si₂ and a molecular weight of 390.76 g/mol. Its IUPAC name is 2-ethylhexoxy-[2-ethylhexoxy(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: BCNKMGZVQPERNC-UHFFFAOYSA-N
• PubChem CID: 91721108
• Molecular Formula: C₂₀H₄₆O₃Si₂
• Molecular Weight: 390.76 g/mol
• Exact Mass: 390.30
• IUPAC Name: 2-ethylhexoxy-[2-ethylhexoxy(dimethyl)silyl]oxy-dimethylsilane
• SMILES: CCCCC(CC)CO[Si](C)(C)O[Si](C)(C)OCC(CC)CCCC
• InChI: InChI=1S/C20H46O3Si2/c1-9-13-15-19(11-3)17-21-24(5,6)23-25(7,8)22-18-20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3
• InChIKey: BCNKMGZVQPERNC-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.76
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of BCNKMGZVQPERNC-UHFFFAOYSA-N?

The IUPAC name of BCNKMGZVQPERNC-UHFFFAOYSA-N (CID 91721108) is 2-ethylhexoxy-[2-ethylhexoxy(dimethyl)silyl]oxy-dimethylsilane.

What is the SMILES notation for BCNKMGZVQPERNC-UHFFFAOYSA-N?

The canonical SMILES for BCNKMGZVQPERNC-UHFFFAOYSA-N is CCCCC(CC)CO[Si](C)(C)O[Si](C)(C)OCC(CC)CCCC.

What is the InChIKey of BCNKMGZVQPERNC-UHFFFAOYSA-N?

The InChIKey is BCNKMGZVQPERNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O3Si2/c1-9-13-15-19(11-3)17-21-24(5,6)23-25(7,8)22-18-20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3.

What are the key properties of BCNKMGZVQPERNC-UHFFFAOYSA-N?

BCNKMGZVQPERNC-UHFFFAOYSA-N has a molecular weight of 390.76 g/mol, XLogP of 6.87, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for BCNKMGZVQPERNC-UHFFFAOYSA-N is sourced from PubChem (CID 91721108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91721108 — identifiers, structure, computed properties (public domain)

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