dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate

C11H14O4 — CID 74072943

IUPACdimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=CCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C11H14O4/c1-4-8-5-6-11(7-8,9(12)14-2)10(13)15-3/h4-5H,1,6-7H2,2-3H3
InChIKeyPQXCWIHMZLPGAX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds3

About dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate (PubChem CID 74072943) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
PubChem CID74072943
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=CCC(C(=O)OC)(C(=O)OC)C1
InChIInChI=1S/C11H14O4/c1-4-8-5-6-11(7-8,9(12)14-2)10(13)15-3/h4-5H,1,6-7H2,2-3H3
InChIKeyPQXCWIHMZLPGAX-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate (CID 74072943) is dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate is C=CC1=CCC(C(=O)OC)(C(=O)OC)C1.
What is the InChIKey of dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is PQXCWIHMZLPGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-8-5-6-11(7-8,9(12)14-2)10(13)15-3/h4-5H,1,6-7H2,2-3H3.
What are the key properties of dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-ethenylcyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 74072943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).