ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate

C20H38O7Si2 — CID 158638197

IUPACethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
SMILESCCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OCC
InChIInChI=1S/C20H38O7Si2/c1-7-25-19(23)17(21)13-9-11-15-28(3,4)27-29(5,6)16-12-10-14-18(22)20(24)26-8-2/h7-16H2,1-6H3
InChIKeyXRCQWIHUYQYLMY-UHFFFAOYSA-N
MW446.69 g/mol
LogP4.02
Rot. Bonds16

About ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate

ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate (PubChem CID 158638197) has the molecular formula C20H38O7Si2 and a molecular weight of 446.69 g/mol. Its IUPAC name is ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
PubChem CID158638197
Molecular FormulaC20H38O7Si2
Molecular Weight446.69 g/mol
Exact Mass446.22
IUPAC Nameethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
SMILESCCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OCC
InChIInChI=1S/C20H38O7Si2/c1-7-25-19(23)17(21)13-9-11-15-28(3,4)27-29(5,6)16-12-10-14-18(22)20(24)26-8-2/h7-16H2,1-6H3
InChIKeyXRCQWIHUYQYLMY-UHFFFAOYSA-N
XLogP4.02
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.69
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate with MolForge

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Related Compounds

Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
CID 134870669
3-[Methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate
CID 135061497
2-Oxododecyl 2-trimethylsilylacetate
CID 135064974
Bis(3-trimethoxysilylpropyl) hexanedioate
CID 23297369
[[6-Methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate
CID 58715872
Bis[3-[dimethylsilyloxy(dimethyl)silyl]propyl] hexanedioate
CID 59345655
Bis(3-triethoxysilylpropyl) hexanedioate
CID 85533808
3-[3-Tris(trimethylsilyloxy)silylpropoxy]propyl 2-oxobutanoate
CID 91148247
9-O-[3-[tert-butyl(dimethyl)silyl]oxy-2-oxopropyl] 1-O-undecyl nonanedioate
CID 156904324
Ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
CID 158638195
Ethyl 6-[methoxy(dimethyl)silyl]-2-oxohexanoate;methyl 6-[ethoxy(dimethyl)silyl]-2-oxohexanoate
CID 160469318
CID 164703458
CID 164703458

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
The IUPAC name of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate (CID 158638197) is ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate.
What is the SMILES notation for ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
The canonical SMILES for ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate is CCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OCC.
What is the InChIKey of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
The InChIKey is XRCQWIHUYQYLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7Si2/c1-7-25-19(23)17(21)13-9-11-15-28(3,4)27-29(5,6)16-12-10-14-18(22)20(24)26-8-2/h7-16H2,1-6H3.
What are the key properties of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate has a molecular weight of 446.69 g/mol, XLogP of 4.02, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate is sourced from PubChem (CID 158638197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).