methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate

C18H34O7Si2 — CID 158638196

IUPACmethyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
SMILESCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OC
InChIInChI=1S/C18H34O7Si2/c1-23-17(21)15(19)11-7-9-13-26(3,4)25-27(5,6)14-10-8-12-16(20)18(22)24-2/h7-14H2,1-6H3
InChIKeyGHIUMHHNHOGVHN-UHFFFAOYSA-N
MW418.64 g/mol
LogP3.24
Rot. Bonds14

About methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate

methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate (PubChem CID 158638196) has the molecular formula C18H34O7Si2 and a molecular weight of 418.64 g/mol. Its IUPAC name is methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
PubChem CID158638196
Molecular FormulaC18H34O7Si2
Molecular Weight418.64 g/mol
Exact Mass418.18
IUPAC Namemethyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
SMILESCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OC
InChIInChI=1S/C18H34O7Si2/c1-23-17(21)15(19)11-7-9-13-26(3,4)25-27(5,6)14-10-8-12-16(20)18(22)24-2/h7-14H2,1-6H3
InChIKeyGHIUMHHNHOGVHN-UHFFFAOYSA-N
XLogP3.24
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.64
LogP ≤ 53.24
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 methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate with MolForge

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Launch Full Analysis

Related Compounds

2-Ketoadipic acid, diTBDMS
CID 6430552
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-2-oxohexanoate
CID 134870669
3-[Methyl-bis(trimethylsilyloxy)silyl]propyl hexanoate
CID 135061497
[[6-Methoxyhexanoyloxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methyl 6-methoxyhexanoate
CID 58715872
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
Ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
CID 158638197
Methyl 6-[[[dimethyl(6-oxoheptyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexanoate
CID 158682766
Methyl 6-[ethoxy(dimethyl)silyl]-2-oxohexanoate
CID 160469319
Ethyl 6-[methoxy(dimethyl)silyl]-2-oxohexanoate
CID 160469320

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
The IUPAC name of methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate (CID 158638196) is methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate.
What is the SMILES notation for methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
The canonical SMILES for methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate is COC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OC.
What is the InChIKey of methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
The InChIKey is GHIUMHHNHOGVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O7Si2/c1-23-17(21)15(19)11-7-9-13-26(3,4)25-27(5,6)14-10-8-12-16(20)18(22)24-2/h7-14H2,1-6H3.
What are the key properties of methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?
methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate has a molecular weight of 418.64 g/mol, XLogP of 3.24, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate is sourced from PubChem (CID 158638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).