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

C20H32O5 — CID 131840019

IUPAC(5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
SMILESCCCCC[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m1/s1
InChIKeyQJADFBZNTPJMDY-SODXPYFYSA-N
MW352.47 g/mol
LogP3.25
Rot. Bonds12

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

(5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid (PubChem CID 131840019) has the molecular formula C20H32O5 and a molecular weight of 352.47 g/mol. Its IUPAC name is (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid.

Molecular Properties

Compound Name(5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
PubChem CID131840019
Molecular FormulaC20H32O5
Molecular Weight352.47 g/mol
Exact Mass352.22
IUPAC Name(5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
SMILESCCCCC[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m1/s1
InChIKeyQJADFBZNTPJMDY-SODXPYFYSA-N
XLogP3.25
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.25
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'}

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Related Compounds

(5Z,8R,9E)-8-hydroxy-10-[(1S,2S,5R)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid
CID 131840021
5-[(1R,2S,3S)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]pentanoic acid
CID 171116212
7-[3-hydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]heptanoic acid
CID 14445792
(Z)-7-[(1R,2R,3S)-3-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 35022205
5-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]pentanoic acid
CID 125334450
5-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]pentanoic acid
CID 171116178
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
(E,8R)-8-hydroxy-10-[(1R,2S,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]dec-9-enoic acid
CID 171116272
7-[(2R,3S)-3-hydroxy-2-(3-hydroxyoct-1-enyl)-5-oxocyclopentyl]heptanoic acid
CID 171152416
7-[(1S,2R,3S)-3-hydroxy-2-[(3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 91460085
7-[3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
CID 70636283

Frequently Asked Questions

What is the IUPAC name of (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid?
The IUPAC name of (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid (CID 131840019) is (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid.
What is the SMILES notation for (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid?
The canonical SMILES for (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid is CCCCC[C@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid?
The InChIKey is QJADFBZNTPJMDY-SODXPYFYSA-N. The full InChI is InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17-,19+/m1/s1.
What are the key properties of (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid?
(5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid has a molecular weight of 352.47 g/mol, XLogP of 3.25, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8R,9E)-8-hydroxy-10-[(1R,2R,5S)-5-hydroxy-3-oxo-2-pentylcyclopentyl]deca-5,9-dienoic acid is sourced from PubChem (CID 131840019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).