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

C13H20O4 — CID 11021018

IUPACdimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate
SMILESCCC1=CC(C(=O)OC)(C(=O)OC)CC1CC
InChIInChI=1S/C13H20O4/c1-5-9-7-13(11(14)16-3,12(15)17-4)8-10(9)6-2/h7,10H,5-6,8H2,1-4H3
InChIKeyORLKHMRKWUQMPB-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.09
Rot. Bonds4

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

dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate (PubChem CID 11021018) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate
PubChem CID11021018
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namedimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate
SMILESCCC1=CC(C(=O)OC)(C(=O)OC)CC1CC
InChIInChI=1S/C13H20O4/c1-5-9-7-13(11(14)16-3,12(15)17-4)8-10(9)6-2/h7,10H,5-6,8H2,1-4H3
InChIKeyORLKHMRKWUQMPB-UHFFFAOYSA-N
XLogP2.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.09
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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Related Compounds

Dimethyl 2-(2-cyclohexen-1-yl)malonate
CID 10889207
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Diethyl allyl-2-cyclopenten-1-ylmalonate
CID 15162980
Dimethyl 3,4-dimethylcyclopent-2-ene-1,1-dicarboxylate
CID 11298806
Diethyl 2-(4,5-dimethyl-2-methylidenehex-4-enyl)propanedioate
CID 12023810
dimethyl (3aS,7aR)-3-methylidene-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 14120765
dimethyl 8-methyl-3,3a,4,5,6,7-hexahydro-1H-azulene-2,2-dicarboxylate
CID 15369601
Dimethyl 3-methyl-4-methylidenecyclopent-2-ene-1,1-dicarboxylate
CID 21670622
Dimethyl 1,7-dimethyl-1,2,4,6-tetrahydroindene-5,5-dicarboxylate
CID 72829017
dimethyl 2-[(1R)-cyclohex-2-en-1-yl]propanedioate
CID 10867595
(s)-Dimethyl 2-(cyclohex-2-en-1-yl)malonate
CID 11117358
Dimethyl (cyclopent-1-en-1-yl)propanedioate
CID 71318014

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate (CID 11021018) is dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate is CCC1=CC(C(=O)OC)(C(=O)OC)CC1CC.
What is the InChIKey of dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate?
The InChIKey is ORLKHMRKWUQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-9-7-13(11(14)16-3,12(15)17-4)8-10(9)6-2/h7,10H,5-6,8H2,1-4H3.
What are the key properties of dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate?
dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-diethylcyclopent-2-ene-1,1-dicarboxylate is sourced from PubChem (CID 11021018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).