(6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid

C18H26O4 — CID 171116355

IUPAC(6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid
SMILESCCC1=C(/C=C/[C@H](O)C/C=C\CCCCC(=O)O)C(=O)CC1
InChIInChI=1S/C18H26O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h4,6,11-12,15,19H,2-3,5,7-10,13H2,1H3,(H,21,22)/b6-4-,12-11+/t15-/m1/s1
InChIKeyPUYPSEXBAZYXKI-ISMKHINLSA-N
MW306.40 g/mol
LogP3.56
Rot. Bonds10

About (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid

(6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid (PubChem CID 171116355) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid.

Molecular Properties

Compound Name(6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid
PubChem CID171116355
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid
SMILESCCC1=C(/C=C/[C@H](O)C/C=C\CCCCC(=O)O)C(=O)CC1
InChIInChI=1S/C18H26O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h4,6,11-12,15,19H,2-3,5,7-10,13H2,1H3,(H,21,22)/b6-4-,12-11+/t15-/m1/s1
InChIKeyPUYPSEXBAZYXKI-ISMKHINLSA-N
XLogP3.56
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.56
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 (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-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

(E)-7-[2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
CID 124933446
(E,8S)-8-hydroxy-10-(5-oxo-2-pentylcyclopenten-1-yl)dec-9-enoic acid
CID 171116352
(10E,14Z)-12-hydroxyoctadeca-10,14-dienoic acid
CID 135368928
(Z)-8-[2-[(E,3S)-3-hydroxyhept-1-enyl]-5-oxocyclopenten-1-yl]oct-6-enoic acid
CID 163195144
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635

Frequently Asked Questions

What is the IUPAC name of (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid?
The IUPAC name of (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid (CID 171116355) is (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid.
What is the SMILES notation for (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid?
The canonical SMILES for (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid is CCC1=C(/C=C/[C@H](O)C/C=C\CCCCC(=O)O)C(=O)CC1.
What is the InChIKey of (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid?
The InChIKey is PUYPSEXBAZYXKI-ISMKHINLSA-N. The full InChI is InChI=1S/C18H26O4/c1-2-14-10-13-17(20)16(14)12-11-15(19)8-6-4-3-5-7-9-18(21)22/h4,6,11-12,15,19H,2-3,5,7-10,13H2,1H3,(H,21,22)/b6-4-,12-11+/t15-/m1/s1.
What are the key properties of (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid?
(6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid has a molecular weight of 306.40 g/mol, XLogP of 3.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9R,10E)-11-(2-ethyl-5-oxocyclopenten-1-yl)-9-hydroxyundeca-6,10-dienoic acid is sourced from PubChem (CID 171116355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).