(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid

C20H30O4 — CID 131840062

IUPAC(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid
SMILESCCCCC[C@H]1C=CC(=O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m0/s1
InChIKeyWCMBVZNXINALLE-YQGAQKBJSA-N
MW334.46 g/mol
LogP4.06
Rot. Bonds12

About (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid

(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid (PubChem CID 131840062) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid
PubChem CID131840062
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid
SMILESCCCCC[C@H]1C=CC(=O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m0/s1
InChIKeyWCMBVZNXINALLE-YQGAQKBJSA-N
XLogP4.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S,5S)-5-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-4-oxocyclopent-2-en-1-yl]pentanoic acid
CID 171116312
4-[(1R,2R)-2-[(1E,3S,5Z)-3-hydroxyundeca-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]butanoic acid
CID 131840041
(E,7S)-7-hydroxy-9-[(1R,2R)-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]non-8-enoic acid
CID 138980904
(5Z,8R,9E)-8-hydroxy-10-[(1S,2R,3S)-3-hydroxy-5-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
CID 131840003
(4Z,7Z,10R,11E)-10-hydroxy-12-[(1S,5R)-2-oxo-5-[(Z)-pent-2-enyl]cyclopent-3-en-1-yl]dodeca-4,7,11-trienoic acid
CID 131840732
(Z)-6-[(1S,5S)-5-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-4-oxocyclopent-2-en-1-yl]hex-4-enoic acid
CID 131840816
(4Z,7R,8E)-7-hydroxy-9-[(1R,2R)-2-[(2Z,5Z)-octa-2,5-dienyl]-5-oxocyclopent-3-en-1-yl]nona-4,8-dienoic acid
CID 131840722
(5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
CID 131840019
(5Z,8R,9E)-8-hydroxy-10-[(1S,2S,5R)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
CID 131840021
(5Z,8Z,12E)-11-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,12-trienoic acid
CID 11954058
(Z)-7-[(1R)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 90471786
(Z)-7-[(1R,2S)-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
CID 5283112

Frequently Asked Questions

What is the IUPAC name of (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid?
The IUPAC name of (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid (CID 131840062) is (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid.
What is the SMILES notation for (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid?
The canonical SMILES for (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid is CCCCC[C@H]1C=CC(=O)[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid?
The InChIKey is WCMBVZNXINALLE-YQGAQKBJSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-3-6-9-16-12-15-19(22)18(16)14-13-17(21)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18-/m0/s1.
What are the key properties of (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid?
(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid has a molecular weight of 334.46 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-2-oxo-5-pentylcyclopent-3-en-1-yl]deca-5,9-dienoic acid is sourced from PubChem (CID 131840062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).