3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane

C19H40O6Si2 — CID 59202490

About 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane

3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (PubChem CID 59202490) has the molecular formula C19H40O6Si2 and a molecular weight of 420.70 g/mol. Its IUPAC name is 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

Molecular Properties

• Compound Name: 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
• PubChem CID: 59202490
• Molecular Formula: C19H40O6Si2
• Molecular Weight: 420.70 g/mol
• Exact Mass: 420.24
• IUPAC Name: 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane
• SMILES: C[Si](C)(CCCOCC1CO1)OCCCO[Si](C)(C)CCCOCC1CO1
• InChI: InChI=1S/C19H40O6Si2/c1-26(2,12-6-8-20-14-18-16-22-18)24-10-5-11-25-27(3,4)13-7-9-21-15-19-17-23-19/h18-19H,5-17H2,1-4H3
• InChIKey: LHVCKICFSHNSFC-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.70
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane?

The IUPAC name of 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane (CID 59202490) is 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane.

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

The canonical SMILES for 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is C[Si](C)(CCCOCC1CO1)OCCCO[Si](C)(C)CCCOCC1CO1.

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

The InChIKey is LHVCKICFSHNSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O6Si2/c1-26(2,12-6-8-20-14-18-16-22-18)24-10-5-11-25-27(3,4)13-7-9-21-15-19-17-23-19/h18-19H,5-17H2,1-4H3.

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

3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane has a molecular weight of 420.70 g/mol, XLogP of 3.43, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silyl]oxypropoxy-dimethyl-[3-(oxiran-2-ylmethoxy)propyl]silane is sourced from PubChem (CID 59202490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).