diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate

C14H18O6 — CID 101470289

IUPACdiethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate
SMILESCCOC(=O)c1oc(C(=O)CC)c(C)c1C(=O)OCC
InChIInChI=1S/C14H18O6/c1-5-9(15)11-8(4)10(13(16)18-6-2)12(20-11)14(17)19-7-3/h5-7H2,1-4H3
InChIKeyIAAYGQMBFIRXCE-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.53
Rot. Bonds6

About diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate

diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate (PubChem CID 101470289) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate
PubChem CID101470289
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namediethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate
SMILESCCOC(=O)c1oc(C(=O)CC)c(C)c1C(=O)OCC
InChIInChI=1S/C14H18O6/c1-5-9(15)11-8(4)10(13(16)18-6-2)12(20-11)14(17)19-7-3/h5-7H2,1-4H3
InChIKeyIAAYGQMBFIRXCE-UHFFFAOYSA-N
XLogP2.53
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-bis(ethoxycarbonyl)furan-3,4-diolate
CID 3453861
ethyl 4-amino-2,3,5,6-tetramethylbenzoate
CID 154639052
diethyl 5-[4-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-oxobutanoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 5079460
triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl 2,3,6-trimethylbenzoate
CID 13126297
dibenzyl 4,5-dimethylfuran-2,3-dicarboxylate
CID 134511565
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
diethyl 3-(4-hydroxyphenyl)-5-methylfuran-2,4-dicarboxylate
CID 102318443
ethyl 4-iodo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 11529435
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 2-iodo-6-propanoylbenzoate
CID 134641127

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate?
The IUPAC name of diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate (CID 101470289) is diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate.
What is the SMILES notation for diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate?
The canonical SMILES for diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate is CCOC(=O)c1oc(C(=O)CC)c(C)c1C(=O)OCC.
What is the InChIKey of diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate?
The InChIKey is IAAYGQMBFIRXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-5-9(15)11-8(4)10(13(16)18-6-2)12(20-11)14(17)19-7-3/h5-7H2,1-4H3.
What are the key properties of diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate?
diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate has a molecular weight of 282.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methyl-5-propanoylfuran-2,3-dicarboxylate is sourced from PubChem (CID 101470289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).