diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate

C15H31NO7Si — CID 87148864

IUPACdiethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
SMILESCCCN(C(CC(=O)OCC)C(=O)OCC)[Si](OC)(OC)OCC
InChIInChI=1S/C15H31NO7Si/c1-7-11-16(24(19-5,20-6)23-10-4)13(15(18)22-9-3)12-14(17)21-8-2/h13H,7-12H2,1-6H3
InChIKeyVDUJUKZWUKUDFV-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.35
Rot. Bonds13

About diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate

diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate (PubChem CID 87148864) has the molecular formula C15H31NO7Si and a molecular weight of 365.50 g/mol. Its IUPAC name is diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate.

Molecular Properties

Compound Namediethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
PubChem CID87148864
Molecular FormulaC15H31NO7Si
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Namediethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
SMILESCCCN(C(CC(=O)OCC)C(=O)OCC)[Si](OC)(OC)OCC
InChIInChI=1S/C15H31NO7Si/c1-7-11-16(24(19-5,20-6)23-10-4)13(15(18)22-9-3)12-14(17)21-8-2/h13H,7-12H2,1-6H3
InChIKeyVDUJUKZWUKUDFV-UHFFFAOYSA-N
XLogP1.35
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate?
The IUPAC name of diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate (CID 87148864) is diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate.
What is the SMILES notation for diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate?
The canonical SMILES for diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate is CCCN(C(CC(=O)OCC)C(=O)OCC)[Si](OC)(OC)OCC.
What is the InChIKey of diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate?
The InChIKey is VDUJUKZWUKUDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO7Si/c1-7-11-16(24(19-5,20-6)23-10-4)13(15(18)22-9-3)12-14(17)21-8-2/h13H,7-12H2,1-6H3.
What are the key properties of diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate?
diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate has a molecular weight of 365.50 g/mol, XLogP of 1.35, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate is sourced from PubChem (CID 87148864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).