tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate

C32H68O12Si5 — CID 59734838

About tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate

tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate (PubChem CID 59734838) has the molecular formula C32H68O12Si5 and a molecular weight of 785.31 g/mol. Its IUPAC name is tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate.

Molecular Properties

• Compound Name: tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate
• PubChem CID: 59734838
• Molecular Formula: C32H68O12Si5
• Molecular Weight: 785.31 g/mol
• Exact Mass: 784.36
• IUPAC Name: tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate
• SMILES: C[Si](C)(CCCOCC1CO1)O[Si](O[Si](C)(C)CCCOCC1CO1)(O[Si](C)(C)CCCOCC1CO1)O[Si](C)(C)CCCOCC1CO1
• InChI: InChI=1S/C32H68O12Si5/c1-45(2,17-9-13-33-21-29-25-37-29)41-49(42-46(3,4)18-10-14-34-22-30-26-38-30,43-47(5,6)19-11-15-35-23-31-27-39-31)44-48(7,8)20-12-16-36-24-32-28-40-32/h29-32H,9-28H2,1-8H3
• InChIKey: DWUJGFHUOHDVAW-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 123.96 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.31
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate?

The IUPAC name of tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate (CID 59734838) is tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate.

What is the SMILES notation for tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate?

The canonical SMILES for tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate is C[Si](C)(CCCOCC1CO1)O[Si](O[Si](C)(C)CCCOCC1CO1)(O[Si](C)(C)CCCOCC1CO1)O[Si](C)(C)CCCOCC1CO1.

What is the InChIKey of tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate?

The InChIKey is DWUJGFHUOHDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68O12Si5/c1-45(2,17-9-13-33-21-29-25-37-29)41-49(42-46(3,4)18-10-14-34-22-30-26-38-30,43-47(5,6)19-11-15-35-23-31-27-39-31)44-48(7,8)20-12-16-36-24-32-28-40-32/h29-32H,9-28H2,1-8H3.

What are the key properties of tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate?

tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate has a molecular weight of 785.31 g/mol, XLogP of 5.53, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] silicate is sourced from PubChem (CID 59734838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).