diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate

C15H26O6Si — CID 12809658

IUPACdiethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC(O[Si](C)(C)C)=CC(C)O1
InChIInChI=1S/C15H26O6Si/c1-7-18-13(16)15(14(17)19-8-2)10-12(9-11(3)20-15)21-22(4,5)6/h9,11H,7-8,10H2,1-6H3
InChIKeyCGPKVSQCLYNNGV-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.40
Rot. Bonds6

About diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate

diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (PubChem CID 12809658) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
PubChem CID12809658
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Namediethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC(O[Si](C)(C)C)=CC(C)O1
InChIInChI=1S/C15H26O6Si/c1-7-18-13(16)15(14(17)19-8-2)10-12(9-11(3)20-15)21-22(4,5)6/h9,11H,7-8,10H2,1-6H3
InChIKeyCGPKVSQCLYNNGV-UHFFFAOYSA-N
XLogP2.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.40
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'}

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Related Compounds

Diethyl 3,6-dihydro-2H-pyran-2,2-dicarboxylate
CID 556968
Diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809656
ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463142
ethyl (2S,3S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6-dimethyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523565
ethyl (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 102523566
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
dimethyl 3-[(E)-prop-1-enyl]-1,4-dioxane-2,2-dicarboxylate
CID 10657901
ethyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 176359236
Diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809657
ethyl (2S,3R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyran-2-carboxylate
CID 44463144

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The IUPAC name of diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (CID 12809658) is diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.
What is the SMILES notation for diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The canonical SMILES for diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC(O[Si](C)(C)C)=CC(C)O1.
What is the InChIKey of diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The InChIKey is CGPKVSQCLYNNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-7-18-13(16)15(14(17)19-8-2)10-12(9-11(3)20-15)21-22(4,5)6/h9,11H,7-8,10H2,1-6H3.
What are the key properties of diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate has a molecular weight of 330.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is sourced from PubChem (CID 12809658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).