(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid

C20H34O4 — CID 25016840

IUPAC(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
SMILESCCC(O)CCCCCC[C@@H](O)CCC/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H34O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3-5,7,13,17-19,21-22H,2,6,8-12,14-16H2,1H3,(H,23,24)/b4-3+,7-5+,17-13+/t18?,19-/m0/s1
InChIKeyDXTGFALYZGNEET-CIYMWKOYSA-N
MW338.49 g/mol
LogP4.38
Rot. Bonds15

About (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid

(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid (PubChem CID 25016840) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid.

Molecular Properties

Compound Name(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
PubChem CID25016840
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid
SMILESCCC(O)CCCCCC[C@@H](O)CCC/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H34O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3-5,7,13,17-19,21-22H,2,6,8-12,14-16H2,1H3,(H,23,24)/b4-3+,7-5+,17-13+/t18?,19-/m0/s1
InChIKeyDXTGFALYZGNEET-CIYMWKOYSA-N
XLogP4.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic 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

(17S)-17-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 54157203
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
17,18-dihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070327
(17S)-10,17-dihydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 90011466
13,14-dihydroxydocosa-2,4,6-trienoic acid
CID 169110942
11-hydroperoxyoctadeca-2,4,6-trienoic acid
CID 91259730
19-methylicosa-2,4-dienoic acid
CID 170315585
20-methylhenicosa-2,4-dienoic acid
CID 118268246
20-methylhenicosa-2,4-dienedioic acid
CID 118414903
(9R)-9-hydroperoxyoctadeca-2,4-dienoic acid
CID 91301274
(2E,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 156787428
(2E)-octadeca-2,4,6,8-tetraenoic acid
CID 89498479

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid?
The IUPAC name of (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid (CID 25016840) is (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid.
What is the SMILES notation for (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid?
The canonical SMILES for (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid is CCC(O)CCCCCC[C@@H](O)CCC/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid?
The InChIKey is DXTGFALYZGNEET-CIYMWKOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3-5,7,13,17-19,21-22H,2,6,8-12,14-16H2,1H3,(H,23,24)/b4-3+,7-5+,17-13+/t18?,19-/m0/s1.
What are the key properties of (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid?
(2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid has a molecular weight of 338.49 g/mol, XLogP of 4.38, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,11R)-11,18-dihydroxyicosa-2,4,6-trienoic acid is sourced from PubChem (CID 25016840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).