dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate

C9H10O6 — CID 15723146

IUPACdimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC(=O)CC1(O)C(=O)OC
InChIInChI=1S/C9H10O6/c1-14-7(11)6-3-5(10)4-9(6,13)8(12)15-2/h3,13H,4H2,1-2H3
InChIKeyJZLKHFVURWZVNQ-UHFFFAOYSA-N
MW214.17 g/mol
LogP-1.04
Rot. Bonds2

About dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate

dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate (PubChem CID 15723146) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate
PubChem CID15723146
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Namedimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CC(=O)CC1(O)C(=O)OC
InChIInChI=1S/C9H10O6/c1-14-7(11)6-3-5(10)4-9(6,13)8(12)15-2/h3,13H,4H2,1-2H3
InChIKeyJZLKHFVURWZVNQ-UHFFFAOYSA-N
XLogP-1.04
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate (CID 15723146) is dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate is COC(=O)C1=CC(=O)CC1(O)C(=O)OC.
What is the InChIKey of dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is JZLKHFVURWZVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6/c1-14-7(11)6-3-5(10)4-9(6,13)8(12)15-2/h3,13H,4H2,1-2H3.
What are the key properties of dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate?
dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate has a molecular weight of 214.17 g/mol, XLogP of -1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-hydroxy-4-oxocyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 15723146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).