dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate

C16H18O5 — CID 10902346

IUPACdimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC=C(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H18O5/c1-19-13-6-4-11(5-7-13)12-8-9-16(10-12,14(17)20-2)15(18)21-3/h4-8H,9-10H2,1-3H3
InChIKeyANKLHZDOMVSSSJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.20
Rot. Bonds4

About dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate

dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate (PubChem CID 10902346) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
PubChem CID10902346
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Namedimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC=C(c2ccc(OC)cc2)C1
InChIInChI=1S/C16H18O5/c1-19-13-6-4-11(5-7-13)12-8-9-16(10-12,14(17)20-2)15(18)21-3/h4-8H,9-10H2,1-3H3
InChIKeyANKLHZDOMVSSSJ-UHFFFAOYSA-N
XLogP2.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate (CID 10902346) is dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC=C(c2ccc(OC)cc2)C1.
What is the InChIKey of dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate?
The InChIKey is ANKLHZDOMVSSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-19-13-6-4-11(5-7-13)12-8-9-16(10-12,14(17)20-2)15(18)21-3/h4-8H,9-10H2,1-3H3.
What are the key properties of dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate?
dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-(4-methoxyphenyl)cyclopent-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 10902346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).