3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine

C26H46N2O6Si3 — CID 172907447

IUPAC3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](O[Si](CCCN)(OCC)OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H46N2O6Si3/c1-5-29-35(30-6-2,23-15-21-27)33-37(25-17-11-9-12-18-25,26-19-13-10-14-20-26)34-36(31-7-3,32-8-4)24-16-22-28/h9-14,17-20H,5-8,15-16,21-24,27-28H2,1-4H3
InChIKeyCYAHIAGMSKCNMK-UHFFFAOYSA-N
MW566.92 g/mol
LogP3.00
Rot. Bonds20

About 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine

3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine (PubChem CID 172907447) has the molecular formula C26H46N2O6Si3 and a molecular weight of 566.92 g/mol. Its IUPAC name is 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine
PubChem CID172907447
Molecular FormulaC26H46N2O6Si3
Molecular Weight566.92 g/mol
Exact Mass566.27
IUPAC Name3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine
SMILESCCO[Si](CCCN)(OCC)O[Si](O[Si](CCCN)(OCC)OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H46N2O6Si3/c1-5-29-35(30-6-2,23-15-21-27)33-37(25-17-11-9-12-18-25,26-19-13-10-14-20-26)34-36(31-7-3,32-8-4)24-16-22-28/h9-14,17-20H,5-8,15-16,21-24,27-28H2,1-4H3
InChIKeyCYAHIAGMSKCNMK-UHFFFAOYSA-N
XLogP3.00
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.92
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine?
The IUPAC name of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine (CID 172907447) is 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine?
The canonical SMILES for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine is CCO[Si](CCCN)(OCC)O[Si](O[Si](CCCN)(OCC)OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine?
The InChIKey is CYAHIAGMSKCNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O6Si3/c1-5-29-35(30-6-2,23-15-21-27)33-37(25-17-11-9-12-18-25,26-19-13-10-14-20-26)34-36(31-7-3,32-8-4)24-16-22-28/h9-14,17-20H,5-8,15-16,21-24,27-28H2,1-4H3.
What are the key properties of 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine?
3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine has a molecular weight of 566.92 g/mol, XLogP of 3.00, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl(diethoxy)silyl]oxy-diphenylsilyl]oxy-diethoxysilyl]propan-1-amine is sourced from PubChem (CID 172907447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).