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

C10H14O5 — CID 11074751

IUPACdimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
SMILESCCC1=C(C(=O)OC)C(C(=O)OC)OC1
InChIInChI=1S/C10H14O5/c1-4-6-5-15-8(10(12)14-3)7(6)9(11)13-2/h8H,4-5H2,1-3H3
InChIKeyPFCFYVVMUBKYMT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

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

dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate (PubChem CID 11074751) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
PubChem CID11074751
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate
SMILESCCC1=C(C(=O)OC)C(C(=O)OC)OC1
InChIInChI=1S/C10H14O5/c1-4-6-5-15-8(10(12)14-3)7(6)9(11)13-2/h8H,4-5H2,1-3H3
InChIKeyPFCFYVVMUBKYMT-UHFFFAOYSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate (CID 11074751) is dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate is CCC1=C(C(=O)OC)C(C(=O)OC)OC1.
What is the InChIKey of dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
The InChIKey is PFCFYVVMUBKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-6-5-15-8(10(12)14-3)7(6)9(11)13-2/h8H,4-5H2,1-3H3.
What are the key properties of dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate?
dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-ethyl-2,5-dihydrofuran-2,3-dicarboxylate is sourced from PubChem (CID 11074751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).