diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate

C14H24O6Si — CID 12809656

IUPACdiethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=CC(O[Si](C)(C)C)O1
InChIInChI=1S/C14H24O6Si/c1-6-17-12(15)14(13(16)18-7-2)10-8-9-11(19-14)20-21(3,4)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyJBQOPDSJIGJSBM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.01
Rot. Bonds6

About diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate

diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (PubChem CID 12809656) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
PubChem CID12809656
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Namediethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=CC(O[Si](C)(C)C)O1
InChIInChI=1S/C14H24O6Si/c1-6-17-12(15)14(13(16)18-7-2)10-8-9-11(19-14)20-21(3,4)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyJBQOPDSJIGJSBM-UHFFFAOYSA-N
XLogP2.01
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2-methoxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12200212
Diethyl 3,6-dihydro-2H-pyran-2,2-dicarboxylate
CID 556968
Ethyl 2-methoxy-6-methyl-2,5-dihydropyran-6-carboxylate
CID 12266257
Diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093065
methyl (1S,6R)-1-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-diene-1-carboxylate
CID 146170195
Diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 11809791
2H-Pyran-2,2-dicarboxylic acid, 3,6-dihydro-6-methyl-, diethyl ester
CID 565728
Diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809657
Diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809658
[(8R)-3,3-dimethyl-1,5-dioxo-2,4,7-trioxaspiro[5.5]undec-9-en-8-yl] acetate
CID 21772895
(8R)-8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2,4,7-trioxaspiro[5.5]undec-9-ene-1,5-dione
CID 21772896
[(8R,11S)-8-acetyloxy-3,3-dimethyl-1,5-dioxo-2,4,7-trioxaspiro[5.5]undec-9-en-11-yl] acetate
CID 21772897

Frequently Asked Questions

What is the IUPAC name of diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The IUPAC name of diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (CID 12809656) is diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.
What is the SMILES notation for diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The canonical SMILES for diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=CC(O[Si](C)(C)C)O1.
What is the InChIKey of diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The InChIKey is JBQOPDSJIGJSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-6-17-12(15)14(13(16)18-7-2)10-8-9-11(19-14)20-21(3,4)5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate has a molecular weight of 316.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is sourced from PubChem (CID 12809656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).