3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol

C36H76O12Si4 — CID 161268603

About 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol

3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol (PubChem CID 161268603) has the molecular formula C36H76O12Si4 and a molecular weight of 813.34 g/mol. Its IUPAC name is 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol.

Molecular Properties

• Compound Name: 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol
• PubChem CID: 161268603
• Molecular Formula: C36H76O12Si4
• Molecular Weight: 813.34 g/mol
• Exact Mass: 812.44
• IUPAC Name: 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol
• SMILES: C=C(C)C(=O)OCCCO.C=C(C)COOCCC[Si](C)(C)O[Si](C)(CCCCCO)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C.CCCO
• InChI: InChI=1S/C26H56O8Si4.C7H12O3.C3H8O/c1-24(2)23-31-30-19-16-21-36(7,8)33-38(11,22-14-12-13-17-27)34-37(9,10)32-35(5,6)20-15-18-29-26(28)25(3)4;1-6(2)7(9)10-5-3-4-8;1-2-3-4/h27H,1,3,12-23H2,2,4-11H3;8H,1,3-5H2,2H3;4H,2-3H2,1H3
• InChIKey: VDMZVAGGYCIQQZ-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 159.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	813.34
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol?

The IUPAC name of 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol (CID 161268603) is 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol.

What is the SMILES notation for 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol?

The canonical SMILES for 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol is C=C(C)C(=O)OCCCO.C=C(C)COOCCC[Si](C)(C)O[Si](C)(CCCCCO)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C.CCCO.

What is the InChIKey of 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol?

The InChIKey is VDMZVAGGYCIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O8Si4.C7H12O3.C3H8O/c1-24(2)23-31-30-19-16-21-36(7,8)33-38(11,22-14-12-13-17-27)34-37(9,10)32-35(5,6)20-15-18-29-26(28)25(3)4;1-6(2)7(9)10-5-3-4-8;1-2-3-4/h27H,1,3,12-23H2,2,4-11H3;8H,1,3-5H2,2H3;4H,2-3H2,1H3.

What are the key properties of 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol?

3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol has a molecular weight of 813.34 g/mol, XLogP of 7.68, 28 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[[dimethyl-[3-(2-methylprop-2-enylperoxy)propyl]silyl]oxy-(5-hydroxypentyl)-methylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;3-hydroxypropyl 2-methylprop-2-enoate;propan-1-ol is sourced from PubChem (CID 161268603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).