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

C11H16O5 — CID 12647624

IUPACdiethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(C(=O)OCC)C1
InChIInChI=1S/C11H16O5/c1-4-14-10(12)8-6-9(16-7(8)3)11(13)15-5-2/h9H,4-6H2,1-3H3
InChIKeyIQRNWKWNELRQDS-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.18
Rot. Bonds4

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

diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate (PubChem CID 12647624) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
PubChem CID12647624
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namediethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
SMILESCCOC(=O)C1=C(C)OC(C(=O)OCC)C1
InChIInChI=1S/C11H16O5/c1-4-14-10(12)8-6-9(16-7(8)3)11(13)15-5-2/h9H,4-6H2,1-3H3
InChIKeyIQRNWKWNELRQDS-UHFFFAOYSA-N
XLogP1.18
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(hydroxymethyl)-2-methyl-4,5-dihydrofuran-3-carboxylate
CID 11041440
Ethyl 5-acetyl oxy-2-methyl-5,6-dihydro-4h-pyran-3-carboxylate
CID 129754448
4-Allyloxycarbonyl-2-ethoxycarbonyl-5-methyl-2,3-dihydrofuran
CID 129797752
methyl (4E)-4-(1-chlorohexylidene)-5-oxooxolane-2-carboxylate
CID 134946075
Ethyl 2-acetyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 100987642
dibutyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate
CID 19980687
Ethyl 5-methyl-4-oxo-2-propylfuran-3-carboxylate
CID 21465711
2-Hydroxy-3-(4-methyl-2,5-dioxofuran-3-yl)propanoic acid
CID 87969214
Methyl 2-formyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 89285740
Ethyl 3-(2-ethoxy-2-oxoacetyl)-4-oxofuran-2-carboxylate
CID 89595183
5,6-Dimethyl 3,4-dihydro-2H-pyran-5,6-dicarboxylate
CID 151611758
(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one
CID 154508740

Frequently Asked Questions

What is the IUPAC name of diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
The IUPAC name of diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate (CID 12647624) is diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate is CCOC(=O)C1=C(C)OC(C(=O)OCC)C1.
What is the InChIKey of diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
The InChIKey is IQRNWKWNELRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-4-14-10(12)8-6-9(16-7(8)3)11(13)15-5-2/h9H,4-6H2,1-3H3.
What are the key properties of diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate?
diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate has a molecular weight of 228.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate is sourced from PubChem (CID 12647624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).