5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid

C24H32O4S2 — CID 59984648

IUPAC5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCc1ccc(/C=C\c2ccc(CCCC(C)(C)C(=O)O)s2)s1)C(=O)O
InChIInChI=1S/C24H32O4S2/c1-23(2,21(25)26)15-5-7-17-9-11-19(29-17)13-14-20-12-10-18(30-20)8-6-16-24(3,4)22(27)28/h9-14H,5-8,15-16H2,1-4H3,(H,25,26)(H,27,28)/b14-13-
InChIKeyRUPZSLVDCVZODL-YPKPFQOOSA-N
MW448.65 g/mol
LogP6.85
Rot. Bonds12

About 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid

5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid (PubChem CID 59984648) has the molecular formula C24H32O4S2 and a molecular weight of 448.65 g/mol. Its IUPAC name is 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid
PubChem CID59984648
Molecular FormulaC24H32O4S2
Molecular Weight448.65 g/mol
Exact Mass448.17
IUPAC Name5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid
SMILESCC(C)(CCCc1ccc(/C=C\c2ccc(CCCC(C)(C)C(=O)O)s2)s1)C(=O)O
InChIInChI=1S/C24H32O4S2/c1-23(2,21(25)26)15-5-7-17-9-11-19(29-17)13-14-20-12-10-18(30-20)8-6-16-24(3,4)22(27)28/h9-14H,5-8,15-16H2,1-4H3,(H,25,26)(H,27,28)/b14-13-
InChIKeyRUPZSLVDCVZODL-YPKPFQOOSA-N
XLogP6.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid with MolForge

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Related Compounds

5-[5-[(E)-2-[5-(5-hydroxy-4,4-dimethylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid
CID 20633490
6-[6-[(Z)-2-[6-(5-carboxy-5-methylhexyl)-4-oxothiopyran-2-yl]ethenyl]-4-oxothiopyran-2-yl]-2,2-dimethylhexanoic acid
CID 59984680
6-[6-[(Z)-2-[6-(5-carboxy-5-methylhexyl)-4-oxothiopyran-2-yl]ethenyl]-4-oxothiopyran-2-yl]-2,2-dimethylhexanoic acid;ethane
CID 142135432
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
6-[5-[2-[5-(5-carboxy-5-methylhexyl)furan-2-yl]ethenyl]furan-2-yl]-2,2-dimethylhexanoic acid
CID 72641091
5-[4-(4,4-dimethyl-5-oxohexyl)phenyl]-2,2-dimethylpentanoic acid
CID 164595150
5-[2-(4,4-dimethylpentyl)phenyl]-2,2-dimethylpentanoic acid
CID 157308896
8-[2-(6-carboxy-6-methylheptyl)phenyl]-2,2-dimethyloctanoic acid;7-[2-(5-carboxy-5-methylhexyl)phenyl]-2,2-dimethylheptanoic acid;6-[2-(5-carboxy-5-methylhexyl)phenyl]-2,2-dimethylhexanoic acid;8-[2-(7-carboxy-7-methyloctyl)phenyl]-2,2-dimethyloctanoic acid;5-[2-(4-carboxy-4-methylpentyl)phenyl]-2,2-dimethylpentanoic acid;methane
CID 167622664
(Z)-3-(5-propylthiophen-2-yl)prop-2-enamide
CID 55267151
10-(5-formylthiophen-2-yl)decanoic acid
CID 20555746

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid (CID 59984648) is 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid is CC(C)(CCCc1ccc(/C=C\c2ccc(CCCC(C)(C)C(=O)O)s2)s1)C(=O)O.
What is the InChIKey of 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid?
The InChIKey is RUPZSLVDCVZODL-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H32O4S2/c1-23(2,21(25)26)15-5-7-17-9-11-19(29-17)13-14-20-12-10-18(30-20)8-6-16-24(3,4)22(27)28/h9-14H,5-8,15-16H2,1-4H3,(H,25,26)(H,27,28)/b14-13-.
What are the key properties of 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid?
5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid has a molecular weight of 448.65 g/mol, XLogP of 6.85, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(Z)-2-[5-(4-carboxy-4-methylpentyl)thiophen-2-yl]ethenyl]thiophen-2-yl]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 59984648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).