diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine

C13H36N2O5Si2 — CID 173193103

IUPACdiethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine
SMILESCCO[SiH](C)OCC.CO[Si](CC(CN)CCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si.C5H14O2Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9;1-4-6-8(3)7-5-2/h8H,4-7,9-10H2,1-3H3;8H,4-5H2,1-3H3
InChIKeyQCHOUFVJHBWSAY-UHFFFAOYSA-N
MW356.61 g/mol
LogP0.70
Rot. Bonds12

About diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine

diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine (PubChem CID 173193103) has the molecular formula C13H36N2O5Si2 and a molecular weight of 356.61 g/mol. Its IUPAC name is diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine.

Molecular Properties

Compound Namediethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine
PubChem CID173193103
Molecular FormulaC13H36N2O5Si2
Molecular Weight356.61 g/mol
Exact Mass356.22
IUPAC Namediethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine
SMILESCCO[SiH](C)OCC.CO[Si](CC(CN)CCN)(OC)OC
InChIInChI=1S/C8H22N2O3Si.C5H14O2Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9;1-4-6-8(3)7-5-2/h8H,4-7,9-10H2,1-3H3;8H,4-5H2,1-3H3
InChIKeyQCHOUFVJHBWSAY-UHFFFAOYSA-N
XLogP0.70
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine?
The IUPAC name of diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine (CID 173193103) is diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine.
What is the SMILES notation for diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine?
The canonical SMILES for diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine is CCO[SiH](C)OCC.CO[Si](CC(CN)CCN)(OC)OC.
What is the InChIKey of diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine?
The InChIKey is QCHOUFVJHBWSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si.C5H14O2Si/c1-11-14(12-2,13-3)7-8(6-10)4-5-9;1-4-6-8(3)7-5-2/h8H,4-7,9-10H2,1-3H3;8H,4-5H2,1-3H3.
What are the key properties of diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine?
diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine has a molecular weight of 356.61 g/mol, XLogP of 0.70, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(methyl)silane;2-(trimethoxysilylmethyl)butane-1,4-diamine is sourced from PubChem (CID 173193103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).