3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

C22H44O7Si3 — CID 164811987

About 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate

3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 164811987) has the molecular formula C22H44O7Si3 and a molecular weight of 504.85 g/mol. Its IUPAC name is 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 164811987
• Molecular Formula: C22H44O7Si3
• Molecular Weight: 504.85 g/mol
• Exact Mass: 504.24
• IUPAC Name: 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(=C)C
• InChI: InChI=1S/C22H44O7Si3/c1-19(2)21(23)26-14-12-18-31(7,8)29-32(9,10)28-30(5,6)17-11-13-25-15-16-27-22(24)20(3)4/h1,3,11-18H2,2,4-10H3
• InChIKey: OGACIRFQWCRHML-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.85
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate (CID 164811987) is 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)C(=C)C.

What is the InChIKey of 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

The InChIKey is OGACIRFQWCRHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O7Si3/c1-19(2)21(23)26-14-12-18-31(7,8)29-32(9,10)28-30(5,6)17-11-13-25-15-16-27-22(24)20(3)4/h1,3,11-18H2,2,4-10H3.

What are the key properties of 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate?

3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 504.85 g/mol, XLogP of 5.17, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 164811987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).