diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate

C15H20O5 — CID 56851205

IUPACdiethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C2CC2)C(C(=O)OCC)=C(C)O1
InChIInChI=1S/C15H20O5/c1-4-18-14(16)12-8-11(10-6-7-10)13(9(3)20-12)15(17)19-5-2/h8,10-11H,4-7H2,1-3H3
InChIKeyHGBMINGZUPDVLP-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.33
Rot. Bonds5

About diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate

diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate (PubChem CID 56851205) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate
PubChem CID56851205
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namediethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate
SMILESCCOC(=O)C1=CC(C2CC2)C(C(=O)OCC)=C(C)O1
InChIInChI=1S/C15H20O5/c1-4-18-14(16)12-8-11(10-6-7-10)13(9(3)20-12)15(17)19-5-2/h8,10-11H,4-7H2,1-3H3
InChIKeyHGBMINGZUPDVLP-UHFFFAOYSA-N
XLogP2.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
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 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate?
The IUPAC name of diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate (CID 56851205) is diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate.
What is the SMILES notation for diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate?
The canonical SMILES for diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate is CCOC(=O)C1=CC(C2CC2)C(C(=O)OCC)=C(C)O1.
What is the InChIKey of diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate?
The InChIKey is HGBMINGZUPDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-18-14(16)12-8-11(10-6-7-10)13(9(3)20-12)15(17)19-5-2/h8,10-11H,4-7H2,1-3H3.
What are the key properties of diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate?
diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-cyclopropyl-6-methyl-4H-pyran-2,5-dicarboxylate is sourced from PubChem (CID 56851205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).