7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid

C23H32O3 — CID 18624017

IUPAC7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid
SMILESCCCc1ccc(/C=C/C2CCC(=O)C2CCCCCCC(=O)O)cc1
InChIInChI=1S/C23H32O3/c1-2-7-18-10-12-19(13-11-18)14-15-20-16-17-22(24)21(20)8-5-3-4-6-9-23(25)26/h10-15,20-21H,2-9,16-17H2,1H3,(H,25,26)/b15-14+
InChIKeyXQNXTLCNQORLCE-CCEZHUSRSA-N
MW356.51 g/mol
LogP5.67
Rot. Bonds11

About 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid

7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid (PubChem CID 18624017) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid
PubChem CID18624017
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid
SMILESCCCc1ccc(/C=C/C2CCC(=O)C2CCCCCCC(=O)O)cc1
InChIInChI=1S/C23H32O3/c1-2-7-18-10-12-19(13-11-18)14-15-20-16-17-22(24)21(20)8-5-3-4-6-9-23(25)26/h10-15,20-21H,2-9,16-17H2,1H3,(H,25,26)/b15-14+
InChIKeyXQNXTLCNQORLCE-CCEZHUSRSA-N
XLogP5.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[2-(4-methylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 70007525
7-[(1S,5S)-2-oxo-5-[3-oxo-3-(4-propylphenyl)prop-1-enyl]cyclopentyl]heptanoic acid
CID 70007533
7-[(1S,2S)-2-[2-(4-fluorophenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 54013049
7-[2-[(E)-2-(4-benzoylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 18624052
7-[(1R,5R)-2-oxo-5-[2-[4-(trifluoromethyl)phenyl]ethenyl]cyclopentyl]heptanoic acid
CID 70006918
7-[(1R,2R)-2-[2-[4-(carbamoylamino)phenyl]ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 70004254
7-[(1S,5S)-2-oxo-5-[3-oxo-3-(4-pentylphenyl)prop-1-enyl]cyclopentyl]heptanoic acid
CID 70007526
7-[2-[2-(4-fluoro-3-methylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 70006393
7-[(1R,2R)-2-[2-(3-ethenylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid
CID 70005957
6-[2-[(1S,2S)-2-(6-carboxyhexyl)-3-oxocyclopentyl]ethenyl]-2-oxochromene-3-carboxylic acid
CID 22977926
7-[(1R,2R)-2-[(E)-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 154412212
7-[(1R,5R)-2-oxo-5-[2-(1,3-thiazol-2-yl)ethenyl]cyclopentyl]heptanoic acid
CID 70005807

Frequently Asked Questions

What is the IUPAC name of 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid?
The IUPAC name of 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid (CID 18624017) is 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid is CCCc1ccc(/C=C/C2CCC(=O)C2CCCCCCC(=O)O)cc1.
What is the InChIKey of 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid?
The InChIKey is XQNXTLCNQORLCE-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H32O3/c1-2-7-18-10-12-19(13-11-18)14-15-20-16-17-22(24)21(20)8-5-3-4-6-9-23(25)26/h10-15,20-21H,2-9,16-17H2,1H3,(H,25,26)/b15-14+.
What are the key properties of 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid?
7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid has a molecular weight of 356.51 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-oxo-5-[(E)-2-(4-propylphenyl)ethenyl]cyclopentyl]heptanoic acid is sourced from PubChem (CID 18624017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).