dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane

C27H78O6Si5 — CID 160735127

About dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane

dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane (PubChem CID 160735127) has the molecular formula C27H78O6Si5 and a molecular weight of 639.35 g/mol. Its IUPAC name is dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane.

Molecular Properties

• Compound Name: dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane
• PubChem CID: 160735127
• Molecular Formula: C27H78O6Si5
• Molecular Weight: 639.35 g/mol
• Exact Mass: 638.46
• IUPAC Name: dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane
• SMILES: C.C.C.C.C.C.CCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)C(C)OCCC
• InChI: InChI=1S/C21H54O6Si5.6CH4/c1-14-17-22-19-16-20-31(12,26-30(10,11)24-28(4,5)6)27-32(13,25-29(7,8)9)21(3)23-18-15-2;;;;;;/h21H,14-20H2,1-13H3;6*1H4
• InChIKey: RUVREXYHQHLNGN-UHFFFAOYSA-N
• XLogP: 10.56
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.35
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane?

The IUPAC name of dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane (CID 160735127) is dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane.

What is the SMILES notation for dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane?

The canonical SMILES for dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane is C.C.C.C.C.C.CCCOCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(O[Si](C)(C)C)C(C)OCCC.

What is the InChIKey of dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane?

The InChIKey is RUVREXYHQHLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H54O6Si5.6CH4/c1-14-17-22-19-16-20-31(12,26-30(10,11)24-28(4,5)6)27-32(13,25-29(7,8)9)21(3)23-18-15-2;;;;;;/h21H,14-20H2,1-13H3;6*1H4.

What are the key properties of dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane?

dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane has a molecular weight of 639.35 g/mol, XLogP of 10.56, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[methyl-[methyl-(1-propoxyethyl)-trimethylsilyloxysilyl]oxy-(3-propoxypropyl)silyl]oxy-trimethylsilyloxysilane;methane is sourced from PubChem (CID 160735127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).