ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate

C11H12O6 — CID 24973736

IUPACethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate
SMILESCCOC(=O)C=C1C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C11H12O6/c1-4-17-7(12)5-6-8(13)10(15-2)11(16-3)9(6)14/h5H,4H2,1-3H3
InChIKeyBOQPCPAUCQMXPK-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.13
Rot. Bonds4

About ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate

ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate (PubChem CID 24973736) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate
PubChem CID24973736
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Nameethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate
SMILESCCOC(=O)C=C1C(=O)C(OC)=C(OC)C1=O
InChIInChI=1S/C11H12O6/c1-4-17-7(12)5-6-8(13)10(15-2)11(16-3)9(6)14/h5H,4H2,1-3H3
InChIKeyBOQPCPAUCQMXPK-UHFFFAOYSA-N
XLogP0.13
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate?
The IUPAC name of ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate (CID 24973736) is ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate.
What is the SMILES notation for ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate?
The canonical SMILES for ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate is CCOC(=O)C=C1C(=O)C(OC)=C(OC)C1=O.
What is the InChIKey of ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate?
The InChIKey is BOQPCPAUCQMXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-4-17-7(12)5-6-8(13)10(15-2)11(16-3)9(6)14/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate?
ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate has a molecular weight of 240.21 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dimethoxy-2,5-dioxocyclopent-3-en-1-ylidene)acetate is sourced from PubChem (CID 24973736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).