dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate

C11H16O4 — CID 11298806

IUPACdimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C(C)C(C)C1
InChIInChI=1S/C11H16O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h5,8H,6H2,1-4H3
InChIKeyAOIPBNPRSYWDDQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.30
Rot. Bonds2

About dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate

dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate (PubChem CID 11298806) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
PubChem CID11298806
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C=C(C)C(C)C1
InChIInChI=1S/C11H16O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h5,8H,6H2,1-4H3
InChIKeyAOIPBNPRSYWDDQ-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate (CID 11298806) is dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C=C(C)C(C)C1.
What is the InChIKey of dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is AOIPBNPRSYWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-5-11(6-8(7)2,9(12)14-3)10(13)15-4/h5,8H,6H2,1-4H3.
What are the key properties of dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate?
dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 11298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).