(12R)-12-hydroxyicosa-5,8-dienoic acid

C20H36O3 — CID 91607129

IUPAC(12R)-12-hydroxyicosa-5,8-dienoic acid
SMILESCCCCCCCC[C@@H](O)CCC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-9,11,19,21H,2-6,10,12-18H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyIWNDNAAVYSTLHS-LJQANCHMSA-N
MW324.51 g/mol
LogP5.64
Rot. Bonds16

About (12R)-12-hydroxyicosa-5,8-dienoic acid

(12R)-12-hydroxyicosa-5,8-dienoic acid (PubChem CID 91607129) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is (12R)-12-hydroxyicosa-5,8-dienoic acid.

Molecular Properties

Compound Name(12R)-12-hydroxyicosa-5,8-dienoic acid
PubChem CID91607129
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name(12R)-12-hydroxyicosa-5,8-dienoic acid
SMILESCCCCCCCC[C@@H](O)CCC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-9,11,19,21H,2-6,10,12-18H2,1H3,(H,22,23)/t19-/m1/s1
InChIKeyIWNDNAAVYSTLHS-LJQANCHMSA-N
XLogP5.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (12R)-12-hydroxyicosa-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

14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
11-hydroxynonacosa-13,16-dienoic acid
CID 169276815
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974
(E)-8-hydroxyicos-5-enoic acid
CID 14748256
4-hydroxytricosa-8,11,14,17-tetraenoic acid
CID 72505843
(Z)-4-hydroxyoctadec-7-enoic acid
CID 139805456
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671

Frequently Asked Questions

What is the IUPAC name of (12R)-12-hydroxyicosa-5,8-dienoic acid?
The IUPAC name of (12R)-12-hydroxyicosa-5,8-dienoic acid (CID 91607129) is (12R)-12-hydroxyicosa-5,8-dienoic acid.
What is the SMILES notation for (12R)-12-hydroxyicosa-5,8-dienoic acid?
The canonical SMILES for (12R)-12-hydroxyicosa-5,8-dienoic acid is CCCCCCCC[C@@H](O)CCC=CCC=CCCCC(=O)O.
What is the InChIKey of (12R)-12-hydroxyicosa-5,8-dienoic acid?
The InChIKey is IWNDNAAVYSTLHS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H36O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-9,11,19,21H,2-6,10,12-18H2,1H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (12R)-12-hydroxyicosa-5,8-dienoic acid?
(12R)-12-hydroxyicosa-5,8-dienoic acid has a molecular weight of 324.51 g/mol, XLogP of 5.64, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-hydroxyicosa-5,8-dienoic acid is sourced from PubChem (CID 91607129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).