[(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate

C24H29F3O6 — CID 24763083

IUPAC[(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate
SMILESCO[C@@](C(=O)O[C@@H](C)/C=C(/C=C/C(C)=O)COC(=O)C(C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H29F3O6/c1-16(28)12-13-18(15-32-20(29)22(3,4)5)14-17(2)33-21(30)23(31-6,24(25,26)27)19-10-8-7-9-11-19/h7-14,17H,15H2,1-6H3/b13-12+,18-14-/t17-,23+/m0/s1
InChIKeyVDQMSYHFJDCEJA-MONGQWGMSA-N
MW470.48 g/mol
LogP4.68
Rot. Bonds9

About [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate

[(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate (PubChem CID 24763083) has the molecular formula C24H29F3O6 and a molecular weight of 470.48 g/mol. Its IUPAC name is [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate
PubChem CID24763083
Molecular FormulaC24H29F3O6
Molecular Weight470.48 g/mol
Exact Mass470.19
IUPAC Name[(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate
SMILESCO[C@@](C(=O)O[C@@H](C)/C=C(/C=C/C(C)=O)COC(=O)C(C)(C)C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H29F3O6/c1-16(28)12-13-18(15-32-20(29)22(3,4)5)14-17(2)33-21(30)23(31-6,24(25,26)27)19-10-8-7-9-11-19/h7-14,17H,15H2,1-6H3/b13-12+,18-14-/t17-,23+/m0/s1
InChIKeyVDQMSYHFJDCEJA-MONGQWGMSA-N
XLogP4.68
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate 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 [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate (CID 24763083) is [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate is CO[C@@](C(=O)O[C@@H](C)/C=C(/C=C/C(C)=O)COC(=O)C(C)(C)C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate?
The InChIKey is VDQMSYHFJDCEJA-MONGQWGMSA-N. The full InChI is InChI=1S/C24H29F3O6/c1-16(28)12-13-18(15-32-20(29)22(3,4)5)14-17(2)33-21(30)23(31-6,24(25,26)27)19-10-8-7-9-11-19/h7-14,17H,15H2,1-6H3/b13-12+,18-14-/t17-,23+/m0/s1.
What are the key properties of [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate?
[(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate has a molecular weight of 470.48 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2Z)-5-oxo-2-[(2S)-2-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxypropylidene]hex-3-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 24763083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).