3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

C24H46O11Si2 — CID 88618101

About 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane

3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 88618101) has the molecular formula C24H46O11Si2 and a molecular weight of 566.79 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

• Compound Name: 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
• PubChem CID: 88618101
• Molecular Formula: C24H46O11Si2
• Molecular Weight: 566.79 g/mol
• Exact Mass: 566.26
• IUPAC Name: 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane
• SMILES: C=C(C)O[Si](OCCCOCC1CO1)(OC(=C)C)OC(=C)C.CO[Si](CCCOCC1CO1)(OC)OC
• InChI: InChI=1S/C15H26O6Si.C9H20O5Si/c1-12(2)19-22(20-13(3)4,21-14(5)6)18-9-7-8-16-10-15-11-17-15;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h15H,1,3,5,7-11H2,2,4,6H3;9H,4-8H2,1-3H3
• InChIKey: OMAJJABMBILYFH-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 108.13 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.79
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The IUPAC name of 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 88618101) is 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane.

What is the SMILES notation for 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The canonical SMILES for 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is C=C(C)O[Si](OCCCOCC1CO1)(OC(=C)C)OC(=C)C.CO[Si](CCCOCC1CO1)(OC)OC.

What is the InChIKey of 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

The InChIKey is OMAJJABMBILYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6Si.C9H20O5Si/c1-12(2)19-22(20-13(3)4,21-14(5)6)18-9-7-8-16-10-15-11-17-15;1-10-15(11-2,12-3)6-4-5-13-7-9-8-14-9/h15H,1,3,5,7-11H2,2,4,6H3;9H,4-8H2,1-3H3.

What are the key properties of 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane?

3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 566.79 g/mol, XLogP of 3.56, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(oxiran-2-ylmethoxy)propyl tris(prop-1-en-2-yl) silicate;trimethoxy-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 88618101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).