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

C14H24O6Si — CID 12809657

IUPACdiethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC(O[Si](C)(C)C)=CCO1
InChIInChI=1S/C14H24O6Si/c1-6-17-12(15)14(13(16)18-7-2)10-11(8-9-19-14)20-21(3,4)5/h8H,6-7,9-10H2,1-5H3
InChIKeyJDJNPXDAJKWVMY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.01
Rot. Bonds6

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

diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (PubChem CID 12809657) has the molecular formula C14H24O6Si and a molecular weight of 316.43 g/mol. Its IUPAC name is diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
PubChem CID12809657
Molecular FormulaC14H24O6Si
Molecular Weight316.43 g/mol
Exact Mass316.13
IUPAC Namediethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC(O[Si](C)(C)C)=CCO1
InChIInChI=1S/C14H24O6Si/c1-6-17-12(15)14(13(16)18-7-2)10-11(8-9-19-14)20-21(3,4)5/h8H,6-7,9-10H2,1-5H3
InChIKeyJDJNPXDAJKWVMY-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'}

Analyze diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
ethyl (2R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 176359236
Diethyl 2-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809658
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
ethyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 72543847

Frequently Asked Questions

What is the IUPAC name of diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The IUPAC name of diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (CID 12809657) is diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.
What is the SMILES notation for diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The canonical SMILES for diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC(O[Si](C)(C)C)=CCO1.
What is the InChIKey of diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The InChIKey is JDJNPXDAJKWVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6Si/c1-6-17-12(15)14(13(16)18-7-2)10-11(8-9-19-14)20-21(3,4)5/h8H,6-7,9-10H2,1-5H3.
What are the key properties of diethyl 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
diethyl 4-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 4-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is sourced from PubChem (CID 12809657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).