dimethyl 2-(3-triethoxysilylpropylamino)butanedioate

C15H31NO7Si — CID 19601179

IUPACdimethyl 2-(3-triethoxysilylpropylamino)butanedioate
SMILESCCO[Si](CCCNC(CC(=O)OC)C(=O)OC)(OCC)OCC
InChIInChI=1S/C15H31NO7Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-16-13(15(18)20-5)12-14(17)19-4/h13,16H,6-12H2,1-5H3
InChIKeyQJRCNIIKMUJXNE-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.12
Rot. Bonds14

About dimethyl 2-(3-triethoxysilylpropylamino)butanedioate

dimethyl 2-(3-triethoxysilylpropylamino)butanedioate (PubChem CID 19601179) has the molecular formula C15H31NO7Si and a molecular weight of 365.50 g/mol. Its IUPAC name is dimethyl 2-(3-triethoxysilylpropylamino)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(3-triethoxysilylpropylamino)butanedioate
PubChem CID19601179
Molecular FormulaC15H31NO7Si
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Namedimethyl 2-(3-triethoxysilylpropylamino)butanedioate
SMILESCCO[Si](CCCNC(CC(=O)OC)C(=O)OC)(OCC)OCC
InChIInChI=1S/C15H31NO7Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-16-13(15(18)20-5)12-14(17)19-4/h13,16H,6-12H2,1-5H3
InChIKeyQJRCNIIKMUJXNE-UHFFFAOYSA-N
XLogP1.12
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.12
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 dimethyl 2-(3-triethoxysilylpropylamino)butanedioate?
The IUPAC name of dimethyl 2-(3-triethoxysilylpropylamino)butanedioate (CID 19601179) is dimethyl 2-(3-triethoxysilylpropylamino)butanedioate.
What is the SMILES notation for dimethyl 2-(3-triethoxysilylpropylamino)butanedioate?
The canonical SMILES for dimethyl 2-(3-triethoxysilylpropylamino)butanedioate is CCO[Si](CCCNC(CC(=O)OC)C(=O)OC)(OCC)OCC.
What is the InChIKey of dimethyl 2-(3-triethoxysilylpropylamino)butanedioate?
The InChIKey is QJRCNIIKMUJXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO7Si/c1-6-21-24(22-7-2,23-8-3)11-9-10-16-13(15(18)20-5)12-14(17)19-4/h13,16H,6-12H2,1-5H3.
What are the key properties of dimethyl 2-(3-triethoxysilylpropylamino)butanedioate?
dimethyl 2-(3-triethoxysilylpropylamino)butanedioate has a molecular weight of 365.50 g/mol, XLogP of 1.12, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-triethoxysilylpropylamino)butanedioate is sourced from PubChem (CID 19601179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).