dimethyl 2,3-dihydrofuran-4,5-dicarboxylate

C8H10O5 — CID 13257889

IUPACdimethyl 2,3-dihydrofuran-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)OCC1
InChIInChI=1S/C8H10O5/c1-11-7(9)5-3-4-13-6(5)8(10)12-2/h3-4H2,1-2H3
InChIKeyURVSKKYKFSZYNU-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.01
Rot. Bonds2

About dimethyl 2,3-dihydrofuran-4,5-dicarboxylate

dimethyl 2,3-dihydrofuran-4,5-dicarboxylate (PubChem CID 13257889) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is dimethyl 2,3-dihydrofuran-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dihydrofuran-4,5-dicarboxylate
PubChem CID13257889
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namedimethyl 2,3-dihydrofuran-4,5-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)OCC1
InChIInChI=1S/C8H10O5/c1-11-7(9)5-3-4-13-6(5)8(10)12-2/h3-4H2,1-2H3
InChIKeyURVSKKYKFSZYNU-UHFFFAOYSA-N
XLogP0.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-methyl-4-oxo-4,5-dihydrofuran-3-carboxylate
CID 12293452
4R-Talactone B
CID 156580704
4S-Talactone B
CID 156580705
4-(2-Hydroxy-ethyl)-3-methoxy-5h-furan-2-one
CID 14105176
Methyl 2-methyl-4,5-dihydrofuran-3-carboxylate
CID 12448914
Pfcfyvvmubkymt-uhfffaoysa-
CID 11074751
Diethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
CID 15367226
Rplxugljgbgiki-uhfffaoysa-
CID 15527954
Ethyl 4,5-dihydro-2-methyl-3-furancarboxylate
CID 12247686
Acetic acid 2-(4-acetoxy-5-oxo-2,5-dihydro-furan-3-yl)-ethyl ester
CID 14105177
methyl 5-methyl-2-oxo-3H-furan-4-carboxylate
CID 10241038
Methyl 4,5-dihydro-2-methyl-4-oxo-3-furancarboxylate
CID 91619935

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dihydrofuran-4,5-dicarboxylate?
The IUPAC name of dimethyl 2,3-dihydrofuran-4,5-dicarboxylate (CID 13257889) is dimethyl 2,3-dihydrofuran-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dihydrofuran-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dihydrofuran-4,5-dicarboxylate is COC(=O)C1=C(C(=O)OC)OCC1.
What is the InChIKey of dimethyl 2,3-dihydrofuran-4,5-dicarboxylate?
The InChIKey is URVSKKYKFSZYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-11-7(9)5-3-4-13-6(5)8(10)12-2/h3-4H2,1-2H3.
What are the key properties of dimethyl 2,3-dihydrofuran-4,5-dicarboxylate?
dimethyl 2,3-dihydrofuran-4,5-dicarboxylate has a molecular weight of 186.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dihydrofuran-4,5-dicarboxylate is sourced from PubChem (CID 13257889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).