bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)

C28H84N4O6Si8 — CID 123518562

About bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)

bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane) (PubChem CID 123518562) has the molecular formula C28H84N4O6Si8 and a molecular weight of 797.69 g/mol. Its IUPAC name is bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane).

Molecular Properties

• Compound Name: bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)
• PubChem CID: 123518562
• Molecular Formula: C28H84N4O6Si8
• Molecular Weight: 797.69 g/mol
• Exact Mass: 796.45
• IUPAC Name: bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)
• SMILES: C[SiH2]C.C[SiH2]C.C[Si](C)(CCCN)OO[Si](C)(C)O[Si](C)(C)CCCN.C[Si](C)(CCCN)OO[Si](C)(C)O[Si](C)(C)CCCN
• InChI: InChI=1S/2C12H34N2O3Si3.2C2H8Si/c2*1-18(2,11-7-9-13)15-16-20(5,6)17-19(3,4)12-8-10-14;2*1-3-2/h2*7-14H2,1-6H3;2*3H2,1-2H3
• InChIKey: KUINRRHOQKOAQB-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 159.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.69
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)?

The IUPAC name of bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane) (CID 123518562) is bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane).

What is the SMILES notation for bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)?

The canonical SMILES for bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane) is C[SiH2]C.C[SiH2]C.C[Si](C)(CCCN)OO[Si](C)(C)O[Si](C)(C)CCCN.C[Si](C)(CCCN)OO[Si](C)(C)O[Si](C)(C)CCCN.

What is the InChIKey of bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)?

The InChIKey is KUINRRHOQKOAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H34N2O3Si3.2C2H8Si/c2*1-18(2,11-7-9-13)15-16-20(5,6)17-19(3,4)12-8-10-14;2*1-3-2/h2*7-14H2,1-6H3;2*3H2,1-2H3.

What are the key properties of bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)?

bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane) has a molecular weight of 797.69 g/mol, XLogP of 6.02, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane) is sourced from PubChem (CID 123518562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).