diethyl 2-(3-trimethoxysilylpropylamino)butanedioate

C14H29NO7Si — CID 23513176

IUPACdiethyl 2-(3-trimethoxysilylpropylamino)butanedioate
SMILESCCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C14H29NO7Si/c1-6-21-13(16)11-12(14(17)22-7-2)15-9-8-10-23(18-3,19-4)20-5/h12,15H,6-11H2,1-5H3
InChIKeyVSNLCLFPPHBFLV-UHFFFAOYSA-N
MW351.47 g/mol
LogP0.73
Rot. Bonds13

About diethyl 2-(3-trimethoxysilylpropylamino)butanedioate

diethyl 2-(3-trimethoxysilylpropylamino)butanedioate (PubChem CID 23513176) has the molecular formula C14H29NO7Si and a molecular weight of 351.47 g/mol. Its IUPAC name is diethyl 2-(3-trimethoxysilylpropylamino)butanedioate.

Molecular Properties

Compound Namediethyl 2-(3-trimethoxysilylpropylamino)butanedioate
PubChem CID23513176
Molecular FormulaC14H29NO7Si
Molecular Weight351.47 g/mol
Exact Mass351.17
IUPAC Namediethyl 2-(3-trimethoxysilylpropylamino)butanedioate
SMILESCCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OCC
InChIInChI=1S/C14H29NO7Si/c1-6-21-13(16)11-12(14(17)22-7-2)15-9-8-10-23(18-3,19-4)20-5/h12,15H,6-11H2,1-5H3
InChIKeyVSNLCLFPPHBFLV-UHFFFAOYSA-N
XLogP0.73
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The IUPAC name of diethyl 2-(3-trimethoxysilylpropylamino)butanedioate (CID 23513176) is diethyl 2-(3-trimethoxysilylpropylamino)butanedioate.
What is the SMILES notation for diethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The canonical SMILES for diethyl 2-(3-trimethoxysilylpropylamino)butanedioate is CCOC(=O)CC(NCCC[Si](OC)(OC)OC)C(=O)OCC.
What is the InChIKey of diethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
The InChIKey is VSNLCLFPPHBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO7Si/c1-6-21-13(16)11-12(14(17)22-7-2)15-9-8-10-23(18-3,19-4)20-5/h12,15H,6-11H2,1-5H3.
What are the key properties of diethyl 2-(3-trimethoxysilylpropylamino)butanedioate?
diethyl 2-(3-trimethoxysilylpropylamino)butanedioate has a molecular weight of 351.47 g/mol, XLogP of 0.73, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(3-trimethoxysilylpropylamino)butanedioate is sourced from PubChem (CID 23513176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).