7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid

C20H26O4 — CID 70006233

IUPAC7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CC(O)C1C=Cc1ccccc1
InChIInChI=1S/C20H26O4/c21-18-14-19(22)17(13-12-15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-20(23)24/h3-5,8-9,12-13,16-17,19,22H,1-2,6-7,10-11,14H2,(H,23,24)
InChIKeySTAKDQGZUUNIQI-UHFFFAOYSA-N
MW330.42 g/mol
LogP3.69
Rot. Bonds9

About 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid

7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid (PubChem CID 70006233) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid.

Molecular Properties

Compound Name7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid
PubChem CID70006233
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid
SMILESO=C(O)CCCCCCC1C(=O)CC(O)C1C=Cc1ccccc1
InChIInChI=1S/C20H26O4/c21-18-14-19(22)17(13-12-15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-20(23)24/h3-5,8-9,12-13,16-17,19,22H,1-2,6-7,10-11,14H2,(H,23,24)
InChIKeySTAKDQGZUUNIQI-UHFFFAOYSA-N
XLogP3.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 18623891
7-[5-oxo-2-[(E)-2-phenylethenyl]-3-prop-2-enoxycyclopentyl]heptanoic acid
CID 118647935
7-[2-[2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 90914927
7-[2-[2-(1,3-benzodioxol-5-yl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 70006777
7-[2-[2-(2,3-dimethylphenyl)ethenyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 70005947
7-[(1R,2R,3R)-2-formyl-3-hydroxy-5-oxocyclopentyl]heptanoic acid
CID 18594734
(E,8R)-8-hydroxy-10-[(1R,2S,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116272
7-[(1S,2R,3S)-3-hydroxy-2-[(3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 91460085
7-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 5283212
(E,8S)-8-hydroxy-10-[(1S,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116277
7-[(2R,3S)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid
CID 171152416
7-[3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 70636283

Frequently Asked Questions

What is the IUPAC name of 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid?
The IUPAC name of 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid (CID 70006233) is 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid.
What is the SMILES notation for 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid?
The canonical SMILES for 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid is O=C(O)CCCCCCC1C(=O)CC(O)C1C=Cc1ccccc1.
What is the InChIKey of 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid?
The InChIKey is STAKDQGZUUNIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c21-18-14-19(22)17(13-12-15-8-4-3-5-9-15)16(18)10-6-1-2-7-11-20(23)24/h3-5,8-9,12-13,16-17,19,22H,1-2,6-7,10-11,14H2,(H,23,24).
What are the key properties of 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid?
7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid has a molecular weight of 330.42 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-hydroxy-5-oxo-2-(2-phenylethenyl)cyclopentyl]heptanoic acid is sourced from PubChem (CID 70006233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).