bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate

C16H37NO6Si3 — CID 88852125

IUPACbis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate
SMILESCO[Si](C)(CCCNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)OC
InChIInChI=1S/C16H37NO6Si3/c1-20-26(9,21-2)12-10-11-17-14(16(19)23-25(6,7)8)13-15(18)22-24(3,4)5/h14,17H,10-13H2,1-9H3
InChIKeyUBNDJRVEGZBDOY-UHFFFAOYSA-N
MW423.73 g/mol
LogP2.85
Rot. Bonds12

About bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate

bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate (PubChem CID 88852125) has the molecular formula C16H37NO6Si3 and a molecular weight of 423.73 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate
PubChem CID88852125
Molecular FormulaC16H37NO6Si3
Molecular Weight423.73 g/mol
Exact Mass423.19
IUPAC Namebis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate
SMILESCO[Si](C)(CCCNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)OC
InChIInChI=1S/C16H37NO6Si3/c1-20-26(9,21-2)12-10-11-17-14(16(19)23-25(6,7)8)13-15(18)22-24(3,4)5/h14,17H,10-13H2,1-9H3
InChIKeyUBNDJRVEGZBDOY-UHFFFAOYSA-N
XLogP2.85
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis[tri(propan-2-yl)silyl] 2-[3-[diethoxy(methyl)silyl]propylamino]butanedioate
CID 88852246
dimethyl 2-(3-trimethoxysilylpropylamino)butanedioate
CID 19598212
dimethyl 2-(butylamino)butanedioate
CID 19380122
diethyl 2-[[4-[dimethoxy(methyl)silyl]-2,2-dimethylbutyl]amino]butanedioate
CID 87629505
2-methoxyethyl 3-[3-[dimethoxy(methyl)silyl]propylamino]-2-methylpropanoate
CID 59782863
4-amino-3-[3-[dimethoxy(methyl)silyl]propylamino]butan-1-ol
CID 87772764
2-[2-[3-[dimethoxy(methyl)silyl]propyl]hydrazinyl]ethanamine
CID 139823284
bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
CID 88852299
(E)-4-[3-[dimethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoic acid
CID 174032211
(2S)-2-(3-trimethoxysilylpropylamino)butanedioic acid
CID 87235100
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
CID 88852356
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate?
The IUPAC name of bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate (CID 88852125) is bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate is CO[Si](C)(CCCNC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)OC.
What is the InChIKey of bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate?
The InChIKey is UBNDJRVEGZBDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO6Si3/c1-20-26(9,21-2)12-10-11-17-14(16(19)23-25(6,7)8)13-15(18)22-24(3,4)5/h14,17H,10-13H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate?
bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate has a molecular weight of 423.73 g/mol, XLogP of 2.85, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate is sourced from PubChem (CID 88852125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).