diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate

C16H22O4 — CID 101382043

IUPACdiethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(C(C)=C2CC2)C1
InChIInChI=1S/C16H22O4/c1-4-19-14(17)16(15(18)20-5-2)9-8-13(10-16)11(3)12-6-7-12/h8H,4-7,9-10H2,1-3H3
InChIKeyBNNDFXIBTZCSHV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.93
Rot. Bonds5

About diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate

diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 101382043) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate
PubChem CID101382043
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Namediethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(C(C)=C2CC2)C1
InChIInChI=1S/C16H22O4/c1-4-19-14(17)16(15(18)20-5-2)9-8-13(10-16)11(3)12-6-7-12/h8H,4-7,9-10H2,1-3H3
InChIKeyBNNDFXIBTZCSHV-UHFFFAOYSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.93
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

diethyl 3-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylideneethyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101382045
diethyl 3-[(E)-3-phenylprop-2-enoyl]cyclopent-3-ene-1,1-dicarboxylate
CID 46938691
diethyl 4-methylcyclohept-3-ene-1,1-dicarboxylate
CID 13423304
diethyl 3-[(Z)-3,3,3-trideuterioprop-1-enyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101120890
diethyl 3-[(1S,2R)-2-ethoxycarbonylcyclopropyl]cyclopent-3-ene-1,1-dicarboxylate
CID 101388748
ethyl 1,3-dimethylcyclopent-3-ene-1-carboxylate
CID 158121003
diethyl 3,5-dihydro-1H-cyclopropa[f]indene-4,4-dicarboxylate
CID 15641549
diethyl 4,6-dihydrocyclopenta[c]furan-5,5-dicarboxylate
CID 15814402
diethyl 4,7-dioxo-1,3-dihydroindene-2,2-dicarboxylate
CID 121351241
CID 162397704
CID 162397704
hexaethyl tetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene-3,3,11,11,19,19-hexacarboxylate
CID 15782308
diethyl cyclopent-3-ene-1,1-dicarboxylate;diethyl propanedioate
CID 159778737

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate (CID 101382043) is diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(C(C)=C2CC2)C1.
What is the InChIKey of diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is BNNDFXIBTZCSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-4-19-14(17)16(15(18)20-5-2)9-8-13(10-16)11(3)12-6-7-12/h8H,4-7,9-10H2,1-3H3.
What are the key properties of diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(1-cyclopropylideneethyl)cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 101382043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).