dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate

C13H27NO7Si — CID 87149294

IUPACdimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate
SMILESCCO[Si](OC)(OCC)N(CC)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C13H27NO7Si/c1-7-14(22(19-6,20-8-2)21-9-3)11(13(16)18-5)10-12(15)17-4/h11H,7-10H2,1-6H3
InChIKeyOWINVNSPRNEDGF-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.57
Rot. Bonds11

About dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate

dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate (PubChem CID 87149294) has the molecular formula C13H27NO7Si and a molecular weight of 337.45 g/mol. Its IUPAC name is dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate
PubChem CID87149294
Molecular FormulaC13H27NO7Si
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Namedimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate
SMILESCCO[Si](OC)(OCC)N(CC)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C13H27NO7Si/c1-7-14(22(19-6,20-8-2)21-9-3)11(13(16)18-5)10-12(15)17-4/h11H,7-10H2,1-6H3
InChIKeyOWINVNSPRNEDGF-UHFFFAOYSA-N
XLogP0.57
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate?
The IUPAC name of dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate (CID 87149294) is dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate.
What is the SMILES notation for dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate?
The canonical SMILES for dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate is CCO[Si](OC)(OCC)N(CC)C(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate?
The InChIKey is OWINVNSPRNEDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO7Si/c1-7-14(22(19-6,20-8-2)21-9-3)11(13(16)18-5)10-12(15)17-4/h11H,7-10H2,1-6H3.
What are the key properties of dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate?
dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate has a molecular weight of 337.45 g/mol, XLogP of 0.57, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate is sourced from PubChem (CID 87149294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).