diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate

C14H20O4 — CID 14931222

IUPACdiethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(C)CC(C(=O)OCC)(C(=O)OCC)C1
InChIInChI=1S/C14H20O4/c1-5-11-9-14(8-10(11)4,12(15)17-6-2)13(16)18-7-3/h5H,1,6-9H2,2-4H3
InChIKeyUPZRNGOLEMHXGF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.40
Rot. Bonds5

About diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate

diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate (PubChem CID 14931222) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
PubChem CID14931222
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namediethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
SMILESC=CC1=C(C)CC(C(=O)OCC)(C(=O)OCC)C1
InChIInChI=1S/C14H20O4/c1-5-11-9-14(8-10(11)4,12(15)17-6-2)13(16)18-7-3/h5H,1,6-9H2,2-4H3
InChIKeyUPZRNGOLEMHXGF-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.40
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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Related Compounds

3-Cyclopentene-1,1-dicarboxylic acid, 3,4-dimethyl-, diethyl ester
CID 10922664
Diethyl 3-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10977178
3-Cyclopentene-1,1-dicarboxylic acid, 3,4-dimethyl-, dimethyl ester
CID 11127576
Diethyl 3-prop-1-en-2-ylcyclopent-3-ene-1,1-dicarboxylate
CID 11184313
Diethyl cyclohept-3-ene-1,1-dicarboxylate
CID 86183831
Diethyl allyl-2-cyclopenten-1-ylmalonate
CID 15162980
Dimethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate
CID 10561083
diethyl (3E)-3-ethylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 10890391
diethyl (3E)-3-hexylidene-4-methylidenecyclopentane-1,1-dicarboxylate
CID 11023252
diethyl 2-[(E)-but-2-enyl]-2-but-3-enylpropanedioate
CID 11414508
Diethyl 4-ethenyl-5-methyl-3-methylidenecyclohept-4-ene-1,1-dicarboxylate
CID 11709095
Diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
CID 11817979

Frequently Asked Questions

What is the IUPAC name of diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate (CID 14931222) is diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate is C=CC1=C(C)CC(C(=O)OCC)(C(=O)OCC)C1.
What is the InChIKey of diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is UPZRNGOLEMHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-11-9-14(8-10(11)4,12(15)17-6-2)13(16)18-7-3/h5H,1,6-9H2,2-4H3.
What are the key properties of diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-ethenyl-4-methylcyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 14931222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).