3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol

C19H46O8Si3 — CID 58479003

About 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol

3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol (PubChem CID 58479003) has the molecular formula C19H46O8Si3 and a molecular weight of 486.83 g/mol. Its IUPAC name is 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol.

Molecular Properties

• Compound Name: 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
• PubChem CID: 58479003
• Molecular Formula: C19H46O8Si3
• Molecular Weight: 486.83 g/mol
• Exact Mass: 486.25
• IUPAC Name: 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
• SMILES: COCC(COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO
• InChI: InChI=1S/C19H46O8Si3/c1-22-16-19(25-15-18(21)14-20)17-24-12-11-23-10-9-13-30(8,26-28(2,3)4)27-29(5,6)7/h18-21H,9-17H2,1-8H3
• InChIKey: RMUKRSWFHRZVQL-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.83
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?

The IUPAC name of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol (CID 58479003) is 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol.

What is the SMILES notation for 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?

The canonical SMILES for 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol is COCC(COCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OCC(O)CO.

What is the InChIKey of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?

The InChIKey is RMUKRSWFHRZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46O8Si3/c1-22-16-19(25-15-18(21)14-20)17-24-12-11-23-10-9-13-30(8,26-28(2,3)4)27-29(5,6)7/h18-21H,9-17H2,1-8H3.

What are the key properties of 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol?

3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol has a molecular weight of 486.83 g/mol, XLogP of 2.57, 19 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol is sourced from PubChem (CID 58479003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).