bis[3-aminopropyl(diethoxy)silyl] diethyl silicate

C18H46N2O8Si3 — CID 59184945

IUPACbis[3-aminopropyl(diethoxy)silyl] diethyl silicate
SMILESCCO[Si](CCCN)(OCC)O[Si](OCC)(OCC)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C18H46N2O8Si3/c1-7-21-29(22-8-2,17-13-15-19)27-31(25-11-5,26-12-6)28-30(23-9-3,24-10-4)18-14-16-20/h7-20H2,1-6H3
InChIKeyHXHQDVHAQKFHHV-UHFFFAOYSA-N
MW502.83 g/mol
LogP2.25
Rot. Bonds22

About bis[3-aminopropyl(diethoxy)silyl] diethyl silicate

bis[3-aminopropyl(diethoxy)silyl] diethyl silicate (PubChem CID 59184945) has the molecular formula C18H46N2O8Si3 and a molecular weight of 502.83 g/mol. Its IUPAC name is bis[3-aminopropyl(diethoxy)silyl] diethyl silicate.

Molecular Properties

Compound Namebis[3-aminopropyl(diethoxy)silyl] diethyl silicate
PubChem CID59184945
Molecular FormulaC18H46N2O8Si3
Molecular Weight502.83 g/mol
Exact Mass502.26
IUPAC Namebis[3-aminopropyl(diethoxy)silyl] diethyl silicate
SMILESCCO[Si](CCCN)(OCC)O[Si](OCC)(OCC)O[Si](CCCN)(OCC)OCC
InChIInChI=1S/C18H46N2O8Si3/c1-7-21-29(22-8-2,17-13-15-19)27-31(25-11-5,26-12-6)28-30(23-9-3,24-10-4)18-14-16-20/h7-20H2,1-6H3
InChIKeyHXHQDVHAQKFHHV-UHFFFAOYSA-N
XLogP2.25
TPSA125.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.83
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 bis[3-aminopropyl(diethoxy)silyl] diethyl silicate?
The IUPAC name of bis[3-aminopropyl(diethoxy)silyl] diethyl silicate (CID 59184945) is bis[3-aminopropyl(diethoxy)silyl] diethyl silicate.
What is the SMILES notation for bis[3-aminopropyl(diethoxy)silyl] diethyl silicate?
The canonical SMILES for bis[3-aminopropyl(diethoxy)silyl] diethyl silicate is CCO[Si](CCCN)(OCC)O[Si](OCC)(OCC)O[Si](CCCN)(OCC)OCC.
What is the InChIKey of bis[3-aminopropyl(diethoxy)silyl] diethyl silicate?
The InChIKey is HXHQDVHAQKFHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H46N2O8Si3/c1-7-21-29(22-8-2,17-13-15-19)27-31(25-11-5,26-12-6)28-30(23-9-3,24-10-4)18-14-16-20/h7-20H2,1-6H3.
What are the key properties of bis[3-aminopropyl(diethoxy)silyl] diethyl silicate?
bis[3-aminopropyl(diethoxy)silyl] diethyl silicate has a molecular weight of 502.83 g/mol, XLogP of 2.25, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-aminopropyl(diethoxy)silyl] diethyl silicate is sourced from PubChem (CID 59184945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).