bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate

C24H53NO6Si3 — CID 88852356

IUPACbis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
SMILESCCN(CCC[Si](C)(OC)OC)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H53NO6Si3/c1-11-25(19-18-20-32(10,28-8)29-9)22(24(27)31-34(15-5,16-6)17-7)21-23(26)30-33(12-2,13-3)14-4/h22H,11-21H2,1-10H3
InChIKeyFTTMZNNYUZPHAC-UHFFFAOYSA-N
MW535.95 g/mol
LogP5.92
Rot. Bonds19

About bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate

bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate (PubChem CID 88852356) has the molecular formula C24H53NO6Si3 and a molecular weight of 535.95 g/mol. Its IUPAC name is bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate.

Molecular Properties

Compound Namebis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
PubChem CID88852356
Molecular FormulaC24H53NO6Si3
Molecular Weight535.95 g/mol
Exact Mass535.32
IUPAC Namebis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate
SMILESCCN(CCC[Si](C)(OC)OC)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C24H53NO6Si3/c1-11-25(19-18-20-32(10,28-8)29-9)22(24(27)31-34(15-5,16-6)17-7)21-23(26)30-33(12-2,13-3)14-4/h22H,11-21H2,1-10H3
InChIKeyFTTMZNNYUZPHAC-UHFFFAOYSA-N
XLogP5.92
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.95
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(triethylsilyl) 2-[3-[diethoxy(methyl)silyl]propyl-methylamino]butanedioate
CID 88852114
(2S)-2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioic acid
CID 88852321
bis(triethylsilyl) 2-[3-[ethoxy(dimethyl)silyl]propyl-methylamino]butanedioate
CID 88852131
bis(trimethylsilyl) 2-[methyl(3-trimethoxysilylpropyl)amino]butanedioate
CID 88852299
1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol
CID 174604281
triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate
CID 87832662
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]-2-methylpropanoate
CID 88852273
triethylsilyl 3-[3-[diethoxy(methyl)silyl]propyl-ethylamino]propanoate
CID 88852037
bis(trimethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propylamino]butanedioate
CID 88852125
2-[3-[dimethoxy(methyl)silyl]propyl-methylamino]butanedioic acid
CID 88852181
triethylsilyl 3-[ethyl(3-trimethoxysilylpropyl)amino]propanoate
CID 88852370
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831

Frequently Asked Questions

What is the IUPAC name of bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate?
The IUPAC name of bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate (CID 88852356) is bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate.
What is the SMILES notation for bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate?
The canonical SMILES for bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate is CCN(CCC[Si](C)(OC)OC)C(CC(=O)O[Si](CC)(CC)CC)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate?
The InChIKey is FTTMZNNYUZPHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53NO6Si3/c1-11-25(19-18-20-32(10,28-8)29-9)22(24(27)31-34(15-5,16-6)17-7)21-23(26)30-33(12-2,13-3)14-4/h22H,11-21H2,1-10H3.
What are the key properties of bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate?
bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate has a molecular weight of 535.95 g/mol, XLogP of 5.92, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triethylsilyl) 2-[3-[dimethoxy(methyl)silyl]propyl-ethylamino]butanedioate is sourced from PubChem (CID 88852356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).