diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate

C15H22O4 — CID 11817979

IUPACdiethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(C=C(C)C)C1
InChIInChI=1S/C15H22O4/c1-5-18-13(16)15(14(17)19-6-2)8-7-12(10-15)9-11(3)4/h7,9H,5-6,8,10H2,1-4H3
InChIKeyGCLAQHIFVJGNHD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.79
Rot. Bonds5

About diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate

diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 11817979) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
PubChem CID11817979
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namediethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC=C(C=C(C)C)C1
InChIInChI=1S/C15H22O4/c1-5-18-13(16)15(14(17)19-6-2)8-7-12(10-15)9-11(3)4/h7,9H,5-6,8,10H2,1-4H3
InChIKeyGCLAQHIFVJGNHD-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.79
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 diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate (CID 11817979) is diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC=C(C=C(C)C)C1.
What is the InChIKey of diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is GCLAQHIFVJGNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-18-13(16)15(14(17)19-6-2)8-7-12(10-15)9-11(3)4/h7,9H,5-6,8,10H2,1-4H3.
What are the key properties of diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate?
diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(2-methylprop-1-enyl)cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 11817979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).