diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate

C14H20O5 — CID 19086098

IUPACdiethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(C)=C(C(=O)OCC)C1C
InChIInChI=1S/C14H20O5/c1-6-17-13(15)11-8(3)12(14(16)18-7-2)10(5)19-9(11)4/h8H,6-7H2,1-5H3
InChIKeyGWEFWGCEPTVYCU-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.33
Rot. Bonds4

About diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate

diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate (PubChem CID 19086098) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
PubChem CID19086098
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namediethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(C)=C(C(=O)OCC)C1C
InChIInChI=1S/C14H20O5/c1-6-17-13(15)11-8(3)12(14(16)18-7-2)10(5)19-9(11)4/h8H,6-7H2,1-5H3
InChIKeyGWEFWGCEPTVYCU-UHFFFAOYSA-N
XLogP2.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate?
The IUPAC name of diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate (CID 19086098) is diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate is CCOC(=O)C1=C(C)OC(C)=C(C(=O)OCC)C1C.
What is the InChIKey of diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate?
The InChIKey is GWEFWGCEPTVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-6-17-13(15)11-8(3)12(14(16)18-7-2)10(5)19-9(11)4/h8H,6-7H2,1-5H3.
What are the key properties of diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate?
diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 19086098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).