diethyl cyclobut-2-ene-1,2-dicarboxylate

C10H14O4 — CID 23108344

IUPACdiethyl cyclobut-2-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CCC1C(=O)OCC
InChIInChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8(7)10(12)14-4-2/h5,8H,3-4,6H2,1-2H3
InChIKeyYQFQZWAOUKNCPB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds4

About diethyl cyclobut-2-ene-1,2-dicarboxylate

diethyl cyclobut-2-ene-1,2-dicarboxylate (PubChem CID 23108344) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is diethyl cyclobut-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl cyclobut-2-ene-1,2-dicarboxylate
PubChem CID23108344
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namediethyl cyclobut-2-ene-1,2-dicarboxylate
SMILESCCOC(=O)C1=CCC1C(=O)OCC
InChIInChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8(7)10(12)14-4-2/h5,8H,3-4,6H2,1-2H3
InChIKeyYQFQZWAOUKNCPB-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl cyclobut-2-ene-1,2-dicarboxylate?
The IUPAC name of diethyl cyclobut-2-ene-1,2-dicarboxylate (CID 23108344) is diethyl cyclobut-2-ene-1,2-dicarboxylate.
What is the SMILES notation for diethyl cyclobut-2-ene-1,2-dicarboxylate?
The canonical SMILES for diethyl cyclobut-2-ene-1,2-dicarboxylate is CCOC(=O)C1=CCC1C(=O)OCC.
What is the InChIKey of diethyl cyclobut-2-ene-1,2-dicarboxylate?
The InChIKey is YQFQZWAOUKNCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-13-9(11)7-5-6-8(7)10(12)14-4-2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of diethyl cyclobut-2-ene-1,2-dicarboxylate?
diethyl cyclobut-2-ene-1,2-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl cyclobut-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 23108344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).