diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate

C20H32O5Si2 — CID 71603292

IUPACdiethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1
InChIInChI=1S/C20H32O5Si2/c1-9-24-18(22)20(19(23)25-10-2)11-13-14(12-20)17(27(6,7)8)15(21)16(13)26(3,4)5/h9-12H2,1-8H3
InChIKeyRYHRQDCIJUKGRD-UHFFFAOYSA-N
MW408.64 g/mol
LogP3.82
Rot. Bonds6

About diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate

diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate (PubChem CID 71603292) has the molecular formula C20H32O5Si2 and a molecular weight of 408.64 g/mol. Its IUPAC name is diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
PubChem CID71603292
Molecular FormulaC20H32O5Si2
Molecular Weight408.64 g/mol
Exact Mass408.18
IUPAC Namediethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1
InChIInChI=1S/C20H32O5Si2/c1-9-24-18(22)20(19(23)25-10-2)11-13-14(12-20)17(27(6,7)8)15(21)16(13)26(3,4)5/h9-12H2,1-8H3
InChIKeyRYHRQDCIJUKGRD-UHFFFAOYSA-N
XLogP3.82
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.64
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 15814402
CID 162397704
CID 162397704
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
CID 15641549
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
triethyl 1,3-dihydroindene-2,2,5-tricarboxylate
CID 10359519
diethyl (3Z)-3-(2-methoxy-6-methylidenecyclohexylidene)-4-methylidenecyclopentane-1,1-dicarboxylate
CID 177422828
diethyl (1R,5S)-7-oxo-6-oxabicyclo[3.2.0]heptane-3,3-dicarboxylate
CID 71730024
ethyl (2S)-2-hydroxy-5-oxooxolane-2-carboxylate
CID 163095762
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485

Frequently Asked Questions

What is the IUPAC name of diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
The IUPAC name of diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate (CID 71603292) is diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate.
What is the SMILES notation for diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
The canonical SMILES for diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC2=C([Si](C)(C)C)C(=O)C([Si](C)(C)C)=C2C1.
What is the InChIKey of diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
The InChIKey is RYHRQDCIJUKGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O5Si2/c1-9-24-18(22)20(19(23)25-10-2)11-13-14(12-20)17(27(6,7)8)15(21)16(13)26(3,4)5/h9-12H2,1-8H3.
What are the key properties of diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate?
diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate has a molecular weight of 408.64 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-oxo-4,6-bis(trimethylsilyl)-1,3-dihydropentalene-2,2-dicarboxylate is sourced from PubChem (CID 71603292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).