diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate

C23H24O5 — CID 10571814

IUPACdiethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)/C(=C/c2ccccc2)COC1c1ccccc1
InChIInChI=1S/C23H24O5/c1-3-26-21(24)23(22(25)27-4-2)19(15-17-11-7-5-8-12-17)16-28-20(23)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3/b19-15+
InChIKeyXOQVDFSYWAUTER-XDJHFCHBSA-N
MW380.44 g/mol
LogP3.95
Rot. Bonds6

About diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate

diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate (PubChem CID 10571814) has the molecular formula C23H24O5 and a molecular weight of 380.44 g/mol. Its IUPAC name is diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate
PubChem CID10571814
Molecular FormulaC23H24O5
Molecular Weight380.44 g/mol
Exact Mass380.16
IUPAC Namediethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)/C(=C/c2ccccc2)COC1c1ccccc1
InChIInChI=1S/C23H24O5/c1-3-26-21(24)23(22(25)27-4-2)19(15-17-11-7-5-8-12-17)16-28-20(23)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3/b19-15+
InChIKeyXOQVDFSYWAUTER-XDJHFCHBSA-N
XLogP3.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate?
The IUPAC name of diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate (CID 10571814) is diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate.
What is the SMILES notation for diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate?
The canonical SMILES for diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate is CCOC(=O)C1(C(=O)OCC)/C(=C/c2ccccc2)COC1c1ccccc1.
What is the InChIKey of diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate?
The InChIKey is XOQVDFSYWAUTER-XDJHFCHBSA-N. The full InChI is InChI=1S/C23H24O5/c1-3-26-21(24)23(22(25)27-4-2)19(15-17-11-7-5-8-12-17)16-28-20(23)18-13-9-6-10-14-18/h5-15,20H,3-4,16H2,1-2H3/b19-15+.
What are the key properties of diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate?
diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (4Z)-4-benzylidene-2-phenyloxolane-3,3-dicarboxylate is sourced from PubChem (CID 10571814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).