3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate

C22H56O8Si7 — CID 18739209

About 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate

3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 18739209) has the molecular formula C22H56O8Si7 and a molecular weight of 645.28 g/mol. Its IUPAC name is 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate
• PubChem CID: 18739209
• Molecular Formula: C22H56O8Si7
• Molecular Weight: 645.28 g/mol
• Exact Mass: 644.24
• IUPAC Name: 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
• InChI: InChI=1S/C22H56O8Si7/c1-21(2)22(23)24-19-18-20-37(17,29-35(13,14)27-33(9,10)25-31(3,4)5)30-36(15,16)28-34(11,12)26-32(6,7)8/h1,18-20H2,2-17H3
• InChIKey: NWMZBVGZFSQJJA-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 81.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.28
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	0
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate (CID 18739209) is 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate.

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

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

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

The InChIKey is NWMZBVGZFSQJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H56O8Si7/c1-21(2)22(23)24-19-18-20-37(17,29-35(13,14)27-33(9,10)25-31(3,4)5)30-36(15,16)28-34(11,12)26-32(6,7)8/h1,18-20H2,2-17H3.

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

3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 645.28 g/mol, XLogP of 7.14, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18739209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).