diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine

C27H59NO8Si3 — CID 6455506

IUPACdiethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](C)(C)OCC.CCO[Si](CCCN)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C12H20O3Si.C9H23NO3Si.C6H16O2Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-5-7-9(3,4)8-6-2/h7-11H,4-6H2,1-3H3;4-10H2,1-3H3;5-6H2,1-4H3
InChIKeyCMKNAQCGCBCKRL-UHFFFAOYSA-N
MW610.03 g/mol
LogP5.09
Rot. Bonds20

About diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine

diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine (PubChem CID 6455506) has the molecular formula C27H59NO8Si3 and a molecular weight of 610.03 g/mol. Its IUPAC name is diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Namediethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine
PubChem CID6455506
Molecular FormulaC27H59NO8Si3
Molecular Weight610.03 g/mol
Exact Mass609.35
IUPAC Namediethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](C)(C)OCC.CCO[Si](CCCN)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccccc1
InChIInChI=1S/C12H20O3Si.C9H23NO3Si.C6H16O2Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-5-7-9(3,4)8-6-2/h7-11H,4-6H2,1-3H3;4-10H2,1-3H3;5-6H2,1-4H3
InChIKeyCMKNAQCGCBCKRL-UHFFFAOYSA-N
XLogP5.09
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.03
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine?
The IUPAC name of diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine (CID 6455506) is diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine?
The canonical SMILES for diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine is CCO[Si](C)(C)OCC.CCO[Si](CCCN)(OCC)OCC.CCO[Si](OCC)(OCC)c1ccccc1.
What is the InChIKey of diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine?
The InChIKey is CMKNAQCGCBCKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3Si.C9H23NO3Si.C6H16O2Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12;1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-5-7-9(3,4)8-6-2/h7-11H,4-6H2,1-3H3;4-10H2,1-3H3;5-6H2,1-4H3.
What are the key properties of diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine?
diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine has a molecular weight of 610.03 g/mol, XLogP of 5.09, 20 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 6455506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).