dimethyl furan-2,4-dicarboxylate

C8H8O5 — CID 592845

IUPACdimethyl furan-2,4-dicarboxylate
SMILESCOC(=O)c1coc(C(=O)OC)c1
InChIInChI=1S/C8H8O5/c1-11-7(9)5-3-6(13-4-5)8(10)12-2/h3-4H,1-2H3
InChIKeyGZNZEMZRQVMDDH-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.85
Rot. Bonds2

About dimethyl furan-2,4-dicarboxylate

dimethyl furan-2,4-dicarboxylate (PubChem CID 592845) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is dimethyl furan-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl furan-2,4-dicarboxylate
PubChem CID592845
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namedimethyl furan-2,4-dicarboxylate
SMILESCOC(=O)c1coc(C(=O)OC)c1
InChIInChI=1S/C8H8O5/c1-11-7(9)5-3-6(13-4-5)8(10)12-2/h3-4H,1-2H3
InChIKeyGZNZEMZRQVMDDH-UHFFFAOYSA-N
XLogP0.85
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl furan-2,4-dicarboxylate?
The IUPAC name of dimethyl furan-2,4-dicarboxylate (CID 592845) is dimethyl furan-2,4-dicarboxylate.
What is the SMILES notation for dimethyl furan-2,4-dicarboxylate?
The canonical SMILES for dimethyl furan-2,4-dicarboxylate is COC(=O)c1coc(C(=O)OC)c1.
What is the InChIKey of dimethyl furan-2,4-dicarboxylate?
The InChIKey is GZNZEMZRQVMDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5/c1-11-7(9)5-3-6(13-4-5)8(10)12-2/h3-4H,1-2H3.
What are the key properties of dimethyl furan-2,4-dicarboxylate?
dimethyl furan-2,4-dicarboxylate has a molecular weight of 184.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl furan-2,4-dicarboxylate is sourced from PubChem (CID 592845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).