4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane

C28H58O9Si2 — CID 173321049

About 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane

4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 173321049) has the molecular formula C28H58O9Si2 and a molecular weight of 594.94 g/mol. Its IUPAC name is 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

• Compound Name: 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
• PubChem CID: 173321049
• Molecular Formula: C28H58O9Si2
• Molecular Weight: 594.94 g/mol
• Exact Mass: 594.36
• IUPAC Name: 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane
• SMILES: C=C(C)C(=O)OCCCC[SiH](OC)OC.CC(C)(C)O[Si](CCCOCC1CO1)(OC(C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C18H38O5Si.C10H20O4Si/c1-16(2,3)21-24(22-17(4,5)6,23-18(7,8)9)12-10-11-19-13-15-14-20-15;1-9(2)10(11)14-7-5-6-8-15(12-3)13-4/h15H,10-14H2,1-9H3;15H,1,5-8H2,2-4H3
• InChIKey: VRNXDGAKZSKUEN-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 94.21 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.94
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?

The IUPAC name of 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 173321049) is 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane.

What is the SMILES notation for 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?

The canonical SMILES for 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane is C=C(C)C(=O)OCCCC[SiH](OC)OC.CC(C)(C)O[Si](CCCOCC1CO1)(OC(C)(C)C)OC(C)(C)C.

What is the InChIKey of 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?

The InChIKey is VRNXDGAKZSKUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si.C10H20O4Si/c1-16(2,3)21-24(22-17(4,5)6,23-18(7,8)9)12-10-11-19-13-15-14-20-15;1-9(2)10(11)14-7-5-6-8-15(12-3)13-4/h15H,10-14H2,1-9H3;15H,1,5-8H2,2-4H3.

What are the key properties of 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane?

4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 594.94 g/mol, XLogP of 5.58, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dimethoxysilylbutyl 2-methylprop-2-enoate;tris[(2-methylpropan-2-yl)oxy]-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 173321049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).