Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate

C₄₆H₈₀N₄O₈Si₆ — CID 158852445

About Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate

Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate (PubChem CID 158852445) has the molecular formula C₄₆H₈₀N₄O₈Si₆ and a molecular weight of 985.68 g/mol. Its IUPAC name is bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate.

Molecular Properties

• Compound Name: Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
• PubChem CID: 158852445
• Molecular Formula: C₄₆H₈₀N₄O₈Si₆
• Molecular Weight: 985.68 g/mol
• Exact Mass: 984.46
• IUPAC Name: bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate
• SMILES: CO[Si](OC)(O[Si](C)(C)CCN)O[Si](C)(C)CCN.CO[Si](OC)(O[Si](CCCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCCN)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H50N2O4Si3.C10H30N2O4Si3/c1-39-45(40-2,41-43(31-19-7-17-29-37,33-21-9-3-10-22-33)34-23-11-4-12-24-34)42-44(32-20-8-18-30-38,35-25-13-5-14-26-35)36-27-15-6-16-28-36;1-13-19(14-2,15-17(3,4)9-7-11)16-18(5,6)10-8-12/h3-6,9-16,21-28H,7-8,17-20,29-32,37-38H2,1-2H3;7-12H2,1-6H3
• InChIKey: IZQAYGUKRYCSAB-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 177.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	985.68
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	4
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'}

Frequently Asked Questions

What is the IUPAC name of Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?

The IUPAC name of Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate (CID 158852445) is bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate.

What is the SMILES notation for Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?

The canonical SMILES for Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate is CO[Si](OC)(O[Si](C)(C)CCN)O[Si](C)(C)CCN.CO[Si](OC)(O[Si](CCCCCN)(c1ccccc1)c1ccccc1)O[Si](CCCCCN)(c1ccccc1)c1ccccc1.

What is the InChIKey of Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?

The InChIKey is IZQAYGUKRYCSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N2O4Si3.C10H30N2O4Si3/c1-39-45(40-2,41-43(31-19-7-17-29-37,33-21-9-3-10-22-33)34-23-11-4-12-24-34)42-44(32-20-8-18-30-38,35-25-13-5-14-26-35)36-27-15-6-16-28-36;1-13-19(14-2,15-17(3,4)9-7-11)16-18(5,6)10-8-12/h3-6,9-16,21-28H,7-8,17-20,29-32,37-38H2,1-2H3;7-12H2,1-6H3.

What are the key properties of Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate?

Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate has a molecular weight of 985.68 g/mol, XLogP of 5.60, 30 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Bis[2-aminoethyl(dimethyl)silyl] dimethyl silicate;bis[5-aminopentyl(diphenyl)silyl] dimethyl silicate is sourced from PubChem (CID 158852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158852445 — identifiers, structure, computed properties (public domain)

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