dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate

C12H25NO7Si — CID 154101002

IUPACdimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate
SMILESCCN([SiH2]OCC(OC)OC)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C12H25NO7Si/c1-6-13(21-20-8-11(17-3)18-4)9(12(15)19-5)7-10(14)16-2/h9,11H,6-8,21H2,1-5H3
InChIKeyGKFSAXQNANCDFK-UHFFFAOYSA-N
MW323.42 g/mol
LogP-0.95
Rot. Bonds11

About dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate

dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate (PubChem CID 154101002) has the molecular formula C12H25NO7Si and a molecular weight of 323.42 g/mol. Its IUPAC name is dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate.

Molecular Properties

Compound Namedimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate
PubChem CID154101002
Molecular FormulaC12H25NO7Si
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Namedimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate
SMILESCCN([SiH2]OCC(OC)OC)C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C12H25NO7Si/c1-6-13(21-20-8-11(17-3)18-4)9(12(15)19-5)7-10(14)16-2/h9,11H,6-8,21H2,1-5H3
InChIKeyGKFSAXQNANCDFK-UHFFFAOYSA-N
XLogP-0.95
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 86626127
CID 86626127
Dimethyl 2-[propyl(trimethoxysilyl)amino]butanedioate
CID 87148832
Dimethyl 2-[ethyl(trimethoxysilyl)amino]butanedioate
CID 87148848
Dimethyl 2-[[diethoxy(methoxy)silyl]-propylamino]butanedioate
CID 87148860
Diethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
CID 87148864
Dimethyl 2-[[ethoxy(dimethoxy)silyl]-propylamino]butanedioate
CID 87148998
Dimethyl 2-[[ethoxy(dimethoxy)silyl]-ethylamino]butanedioate
CID 87149253
Dimethyl 2-[[diethoxy(methoxy)silyl]-ethylamino]butanedioate
CID 87149294
Diethyl 2-[propyl(trimethoxysilyl)amino]butanedioate
CID 87149301
Dimethyl 2-[propyl(triethoxysilyl)amino]butanedioate
CID 87149361
Dimethyl 2-[ethyl(triethoxysilyl)amino]butanedioate
CID 87149378
CID 87643503
CID 87643503

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate?
The IUPAC name of dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate (CID 154101002) is dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate.
What is the SMILES notation for dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate?
The canonical SMILES for dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate is CCN([SiH2]OCC(OC)OC)C(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate?
The InChIKey is GKFSAXQNANCDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO7Si/c1-6-13(21-20-8-11(17-3)18-4)9(12(15)19-5)7-10(14)16-2/h9,11H,6-8,21H2,1-5H3.
What are the key properties of dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate?
dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate has a molecular weight of 323.42 g/mol, XLogP of -0.95, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2,2-dimethoxyethoxysilyl(ethyl)amino]butanedioate is sourced from PubChem (CID 154101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).