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

C28H84N4O6Si8 — CID 123518562

IUPACbis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)
SMILESC[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
InChIInChI=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
InChIKeyKUINRRHOQKOAQB-UHFFFAOYSA-N
MW797.69 g/mol
LogP6.02
Rot. Bonds22

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 Namebis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)
PubChem CID123518562
Molecular FormulaC28H84N4O6Si8
Molecular Weight797.69 g/mol
Exact Mass796.45
IUPAC Namebis(3-[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]peroxy-dimethylsilyl]propan-1-amine);bis(dimethylsilane)
SMILESC[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
InChIInChI=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
InChIKeyKUINRRHOQKOAQB-UHFFFAOYSA-N
XLogP6.02
TPSA159.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.69
LogP ≤ 56.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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'}

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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).