6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one

C20H42O4Si2 — CID 161267844

About 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one

6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one (PubChem CID 161267844) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one.

Molecular Properties

• Compound Name: 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one
• PubChem CID: 161267844
• Molecular Formula: C20H42O4Si2
• Molecular Weight: 402.72 g/mol
• Exact Mass: 402.26
• IUPAC Name: 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one
• SMILES: C=C(C)C(=O)CCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCC
• InChI: InChI=1S/C20H42O4Si2/c1-8-9-17-25(4,5)24-26(6,7)18-11-14-23-16-15-22-13-10-12-20(21)19(2)3/h2,8-18H2,1,3-7H3
• InChIKey: VDKOVXIJGFEJBQ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.72
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one?

The IUPAC name of 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one (CID 161267844) is 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one.

What is the SMILES notation for 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one?

The canonical SMILES for 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one is C=C(C)C(=O)CCCOCCOCCC[Si](C)(C)O[Si](C)(C)CCCC.

What is the InChIKey of 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one?

The InChIKey is VDKOVXIJGFEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-8-9-17-25(4,5)24-26(6,7)18-11-14-23-16-15-22-13-10-12-20(21)19(2)3/h2,8-18H2,1,3-7H3.

What are the key properties of 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one?

6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one has a molecular weight of 402.72 g/mol, XLogP of 5.56, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methylhex-1-en-3-one is sourced from PubChem (CID 161267844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).