3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate

C30H64O7Si6 — CID 70507135

About 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate

3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate (PubChem CID 70507135) has the molecular formula C30H64O7Si6 and a molecular weight of 705.35 g/mol. Its IUPAC name is 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate
• PubChem CID: 70507135
• Molecular Formula: C30H64O7Si6
• Molecular Weight: 705.35 g/mol
• Exact Mass: 704.33
• IUPAC Name: 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC[Si](O[Si](C)(C)CCCOC(C)=O)([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C
• InChI: InChI=1S/C30H64O7Si6/c1-26(2)28(32)34-21-17-23-43(37-38(8,9)22-16-20-33-27(3)31,41(14)24-18-29(4,5)35-39(41,10)11)42(15)25-19-30(6,7)36-40(42,12)13/h1,16-25H2,2-15H3
• InChIKey: UZMSEPLADNCCLX-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.35
LogP ≤ 5	7.89
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-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate?

The IUPAC name of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate (CID 70507135) is 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate.

What is the SMILES notation for 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate?

The canonical SMILES for 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](O[Si](C)(C)CCCOC(C)=O)([Si]1(C)CCC(C)(C)O[Si]1(C)C)[Si]1(C)CCC(C)(C)O[Si]1(C)C.

What is the InChIKey of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate?

The InChIKey is UZMSEPLADNCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O7Si6/c1-26(2)28(32)34-21-17-23-43(37-38(8,9)22-16-20-33-27(3)31,41(14)24-18-29(4,5)35-39(41,10)11)42(15)25-19-30(6,7)36-40(42,12)13/h1,16-25H2,2-15H3.

What are the key properties of 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate?

3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate has a molecular weight of 705.35 g/mol, XLogP of 7.89, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(2,2,3,6,6-pentamethyloxadisilinan-3-yl)silyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 70507135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).