[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate

C22H44O6Si3 — CID 140891427

About [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate

[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate (PubChem CID 140891427) has the molecular formula C22H44O6Si3 and a molecular weight of 488.85 g/mol. Its IUPAC name is [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate
• PubChem CID: 140891427
• Molecular Formula: C22H44O6Si3
• Molecular Weight: 488.85 g/mol
• Exact Mass: 488.24
• IUPAC Name: [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=C)OCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)C(=C)C
• InChI: InChI=1S/C22H44O6Si3/c1-18(2)20(5)25-17-21(26-22(23)19(3)4)16-24-14-13-15-31(12,27-29(6,7)8)28-30(9,10)11/h21H,1,3,5,13-17H2,2,4,6-12H3
• InChIKey: WLMXUMQWUGDOLH-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.85
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate?

The IUPAC name of [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate (CID 140891427) is [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate.

What is the SMILES notation for [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate?

The canonical SMILES for [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=C)OCC(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)C(=C)C.

What is the InChIKey of [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate?

The InChIKey is WLMXUMQWUGDOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O6Si3/c1-18(2)20(5)25-17-21(26-22(23)19(3)4)16-24-14-13-15-31(12,27-29(6,7)8)28-30(9,10)11/h21H,1,3,5,13-17H2,2,4,6-12H3.

What are the key properties of [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate?

[1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate has a molecular weight of 488.85 g/mol, XLogP of 5.76, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]-3-(3-methylbuta-1,3-dien-2-yloxy)propan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 140891427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).