dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane

C39H88O3Si4 — CID 123155642

About dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane

dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane (PubChem CID 123155642) has the molecular formula C39H88O3Si4 and a molecular weight of 717.47 g/mol. Its IUPAC name is dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane.

Molecular Properties

• Compound Name: dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane
• PubChem CID: 123155642
• Molecular Formula: C39H88O3Si4
• Molecular Weight: 717.47 g/mol
• Exact Mass: 716.58
• IUPAC Name: dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane
• SMILES: CCCCCCCC[Si](C)(OC(CC)(CCC)[Si](C)(C)C)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(CC)(CCC)O[Si](C)(C)C
• InChI: InChI=1S/C39H88O3Si4/c1-19-28-29-30-31-32-35-46(18,42-38(26-8,33-20-2)43(10,11)12)37(24-6,25-7)36(22-4,23-5)40-45(16,17)39(27-9,34-21-3)41-44(13,14)15/h19-35H2,1-18H3
• InChIKey: NCMZQKNUQDBPQG-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 27
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.47
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane?

The IUPAC name of dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane (CID 123155642) is dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane.

What is the SMILES notation for dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane?

The canonical SMILES for dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane is CCCCCCCC[Si](C)(OC(CC)(CCC)[Si](C)(C)C)C(CC)(CC)C(CC)(CC)O[Si](C)(C)C(CC)(CCC)O[Si](C)(C)C.

What is the InChIKey of dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane?

The InChIKey is NCMZQKNUQDBPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H88O3Si4/c1-19-28-29-30-31-32-35-46(18,42-38(26-8,33-20-2)43(10,11)12)37(24-6,25-7)36(22-4,23-5)40-45(16,17)39(27-9,34-21-3)41-44(13,14)15/h19-35H2,1-18H3.

What are the key properties of dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane?

dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane has a molecular weight of 717.47 g/mol, XLogP of 14.45, 27 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane is sourced from PubChem (CID 123155642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).