[dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate

C22H52O10Si5 — CID 123458935

About [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate

[dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate (PubChem CID 123458935) has the molecular formula C22H52O10Si5 and a molecular weight of 617.08 g/mol. Its IUPAC name is [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate.

Molecular Properties

• Compound Name: [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate
• PubChem CID: 123458935
• Molecular Formula: C22H52O10Si5
• Molecular Weight: 617.08 g/mol
• Exact Mass: 616.24
• IUPAC Name: [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate
• SMILES: CO[Si](OC)(O[Si](C)(C)CCCOCC1CO1)O[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C
• InChI: InChI=1S/C22H52O10Si5/c1-23-37(24-2,30-34(6,7)15-11-13-25-17-21-19-27-21)32-35(8,9)31-36(10,29-33(3,4)5)16-12-14-26-18-22-20-28-22/h21-22H,11-20H2,1-10H3
• InChIKey: SOKBMPKRRSVSFZ-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 98.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.08
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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 [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate?

The IUPAC name of [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate (CID 123458935) is [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate.

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

The canonical SMILES for [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate is CO[Si](OC)(O[Si](C)(C)CCCOCC1CO1)O[Si](C)(C)O[Si](C)(CCCOCC1CO1)O[Si](C)(C)C.

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

The InChIKey is SOKBMPKRRSVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H52O10Si5/c1-23-37(24-2,30-34(6,7)15-11-13-25-17-21-19-27-21)32-35(8,9)31-36(10,29-33(3,4)5)16-12-14-26-18-22-20-28-22/h21-22H,11-20H2,1-10H3.

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

[dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate has a molecular weight of 617.08 g/mol, XLogP of 4.21, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [dimethyl-[methyl-[3-(oxiran-2-ylmethoxy)propyl]-trimethylsilyloxysilyl]oxysilyl] [dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl] dimethyl silicate is sourced from PubChem (CID 123458935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).