(2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid

C22H32O5 — CID 88816820

IUPAC(2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
SMILESC#C[C@@](O)(/C=C\C/C=C/CC[C@](O)(C(=O)O)[C@H]1CCCC1=O)CCCCC
InChIInChI=1S/C22H32O5/c1-3-5-9-15-21(26,4-2)16-10-7-6-8-11-17-22(27,20(24)25)18-13-12-14-19(18)23/h2,6,8,10,16,18,26-27H,3,5,7,9,11-15,17H2,1H3,(H,24,25)/b8-6+,16-10-/t18-,21-,22+/m0/s1
InChIKeyYLYTXGAKWNNJEO-FNKXDBSASA-N
MW376.49 g/mol
LogP3.40
Rot. Bonds12

About (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid

(2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid (PubChem CID 88816820) has the molecular formula C22H32O5 and a molecular weight of 376.49 g/mol. Its IUPAC name is (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid.

Molecular Properties

Compound Name(2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
PubChem CID88816820
Molecular FormulaC22H32O5
Molecular Weight376.49 g/mol
Exact Mass376.22
IUPAC Name(2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
SMILESC#C[C@@](O)(/C=C\C/C=C/CC[C@](O)(C(=O)O)[C@H]1CCCC1=O)CCCCC
InChIInChI=1S/C22H32O5/c1-3-5-9-15-21(26,4-2)16-10-7-6-8-11-17-22(27,20(24)25)18-13-12-14-19(18)23/h2,6,8,10,16,18,26-27H,3,5,7,9,11-15,17H2,1H3,(H,24,25)/b8-6+,16-10-/t18-,21-,22+/m0/s1
InChIKeyYLYTXGAKWNNJEO-FNKXDBSASA-N
XLogP3.40
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-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

(2S,5E,8Z)-10-ethynyl-10-hydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
CID 88827174
(2S,5E,8Z,10R)-10-hydroxy-2-[(1R)-2-oxocyclopentyl]-10-(2-trimethylsilylethynyl)pentadeca-5,8-dienoic acid
CID 70626998
(2S)-10-hydroxy-10-methyl-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
CID 57053394
methyl (2S,10R)-10-hydroxy-2-[(1R)-2-oxocyclopentyl]-10-(2-trimethylsilylethynyl)pentadeca-5,8-dienoate
CID 57211721
(2S)-10-[tert-butyl(dimethyl)silyl]oxy-10-methyl-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
CID 57214786
(2S,5E,8Z)-10-[tert-butyl(dimethyl)silyl]oxy-10-methyl-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
CID 70626752
(2S,10S)-10-hydroxy-2-[(1R)-2-oxocyclopentyl]-10-(2-trimethylsilylethynyl)pentadec-8-en-5-ynoic acid
CID 57141080
5-hydroxy-5-methyl-2-(1-nitrohex-4-en-2-yl)-2-(2-oxocyclopentyl)dec-3-enoic acid
CID 70624946
2,2-dimethylicosa-5,8,11,14-tetraenoic acid
CID 54277636
2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 83051375
2-methyl-2-octadeca-9,12-dienylpropanedioic acid
CID 173462523
(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590

Frequently Asked Questions

What is the IUPAC name of (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid?
The IUPAC name of (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid (CID 88816820) is (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid.
What is the SMILES notation for (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid?
The canonical SMILES for (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid is C#C[C@@](O)(/C=C\C/C=C/CC[C@](O)(C(=O)O)[C@H]1CCCC1=O)CCCCC.
What is the InChIKey of (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid?
The InChIKey is YLYTXGAKWNNJEO-FNKXDBSASA-N. The full InChI is InChI=1S/C22H32O5/c1-3-5-9-15-21(26,4-2)16-10-7-6-8-11-17-22(27,20(24)25)18-13-12-14-19(18)23/h2,6,8,10,16,18,26-27H,3,5,7,9,11-15,17H2,1H3,(H,24,25)/b8-6+,16-10-/t18-,21-,22+/m0/s1.
What are the key properties of (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid?
(2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid has a molecular weight of 376.49 g/mol, XLogP of 3.40, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E,8Z,10S)-10-ethynyl-2,10-dihydroxy-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid is sourced from PubChem (CID 88816820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).