(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one

C23H22O2 — CID 138616038

IUPAC(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one
SMILESC=C/C=C\C(=C/C)C1(c2ccccc2)OC(=O)C(=C/C=C)/C1=C\C=C
InChIInChI=1S/C23H22O2/c1-5-9-15-18(8-4)23(19-16-11-10-12-17-19)21(14-7-3)20(13-6-2)22(24)25-23/h5-17H,1-3H2,4H3/b15-9-,18-8+,20-13+,21-14+
InChIKeyOJTBLDXEKGNDBM-LDIUCYBUSA-N
MW330.43 g/mol
LogP5.35
Rot. Bonds6

About (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one

(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one (PubChem CID 138616038) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one
PubChem CID138616038
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one
SMILESC=C/C=C\C(=C/C)C1(c2ccccc2)OC(=O)C(=C/C=C)/C1=C\C=C
InChIInChI=1S/C23H22O2/c1-5-9-15-18(8-4)23(19-16-11-10-12-17-19)21(14-7-3)20(13-6-2)22(24)25-23/h5-17H,1-3H2,4H3/b15-9-,18-8+,20-13+,21-14+
InChIKeyOJTBLDXEKGNDBM-LDIUCYBUSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one 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 (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one?
The IUPAC name of (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one (CID 138616038) is (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one.
What is the SMILES notation for (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one?
The canonical SMILES for (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one is C=C/C=C\C(=C/C)C1(c2ccccc2)OC(=O)C(=C/C=C)/C1=C\C=C.
What is the InChIKey of (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one?
The InChIKey is OJTBLDXEKGNDBM-LDIUCYBUSA-N. The full InChI is InChI=1S/C23H22O2/c1-5-9-15-18(8-4)23(19-16-11-10-12-17-19)21(14-7-3)20(13-6-2)22(24)25-23/h5-17H,1-3H2,4H3/b15-9-,18-8+,20-13+,21-14+.
What are the key properties of (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one?
(3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one has a molecular weight of 330.43 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-phenyl-3,4-bis(prop-2-enylidene)oxolan-2-one is sourced from PubChem (CID 138616038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).