diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate

C14H23FO6Si — CID 11809791

IUPACdiethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(F)C(O[Si](C)(C)C)O1
InChIInChI=1S/C14H23FO6Si/c1-6-18-12(16)14(13(17)19-7-2)9-8-10(15)11(20-14)21-22(3,4)5/h8,11H,6-7,9H2,1-5H3
InChIKeyZDHAHRZPPGCVEY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds6

About diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate

diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (PubChem CID 11809791) has the molecular formula C14H23FO6Si and a molecular weight of 334.42 g/mol. Its IUPAC name is diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
PubChem CID11809791
Molecular FormulaC14H23FO6Si
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Namediethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(F)C(O[Si](C)(C)C)O1
InChIInChI=1S/C14H23FO6Si/c1-6-18-12(16)14(13(17)19-7-2)9-8-10(15)11(20-14)21-22(3,4)5/h8,11H,6-7,9H2,1-5H3
InChIKeyZDHAHRZPPGCVEY-UHFFFAOYSA-N
XLogP2.30
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
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 2-methoxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12200212
diethyl 5-fluoro-6-hydroxy-3,6-dihydro-2H-pyran-2,2-dicarboxylate
CID 11832207
Diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809656
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)-8-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2,4,7-trioxaspiro[5.5]undec-9-ene-1,5-dione
CID 21772896
ethyl (2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxy-2,5-dihydropyran-6-carboxylate
CID 102073248

Frequently Asked Questions

What is the IUPAC name of diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The IUPAC name of diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate (CID 11809791) is diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate.
What is the SMILES notation for diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The canonical SMILES for diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(F)C(O[Si](C)(C)C)O1.
What is the InChIKey of diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
The InChIKey is ZDHAHRZPPGCVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO6Si/c1-6-18-12(16)14(13(17)19-7-2)9-8-10(15)11(20-14)21-22(3,4)5/h8,11H,6-7,9H2,1-5H3.
What are the key properties of diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate?
diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-fluoro-2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate is sourced from PubChem (CID 11809791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).