4-hydroxytricosa-8,11,14,17-tetraenoic acid

C23H38O3 — CID 72505843

IUPAC4-hydroxytricosa-8,11,14,17-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(O)CCC(=O)O
InChIInChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21-23(25)26/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H,25,26)
InChIKeyXRGZUJMVHCAKST-UHFFFAOYSA-N
MW362.55 g/mol
LogP6.36
Rot. Bonds17

About 4-hydroxytricosa-8,11,14,17-tetraenoic acid

4-hydroxytricosa-8,11,14,17-tetraenoic acid (PubChem CID 72505843) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 4-hydroxytricosa-8,11,14,17-tetraenoic acid.

Molecular Properties

Compound Name4-hydroxytricosa-8,11,14,17-tetraenoic acid
PubChem CID72505843
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name4-hydroxytricosa-8,11,14,17-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(O)CCC(=O)O
InChIInChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21-23(25)26/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H,25,26)
InChIKeyXRGZUJMVHCAKST-UHFFFAOYSA-N
XLogP6.36
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.36
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'}

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Related Compounds

4-hydroxydocosa-9,13-dienoic acid
CID 139805405
(Z)-4-hydroxyoctadec-7-enoic acid
CID 139805456
(12R)-12-hydroxyicosa-5,8-dienoic acid
CID 91607129
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
11-hydroxynonacosa-13,16-dienoic acid
CID 169276815
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxytricosa-8,11,14,17-tetraenoic acid?
The IUPAC name of 4-hydroxytricosa-8,11,14,17-tetraenoic acid (CID 72505843) is 4-hydroxytricosa-8,11,14,17-tetraenoic acid.
What is the SMILES notation for 4-hydroxytricosa-8,11,14,17-tetraenoic acid?
The canonical SMILES for 4-hydroxytricosa-8,11,14,17-tetraenoic acid is CCCCCC=CCC=CCC=CCC=CCCCC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxytricosa-8,11,14,17-tetraenoic acid?
The InChIKey is XRGZUJMVHCAKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)20-21-23(25)26/h6-7,9-10,12-13,15-16,22,24H,2-5,8,11,14,17-21H2,1H3,(H,25,26).
What are the key properties of 4-hydroxytricosa-8,11,14,17-tetraenoic acid?
4-hydroxytricosa-8,11,14,17-tetraenoic acid has a molecular weight of 362.55 g/mol, XLogP of 6.36, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxytricosa-8,11,14,17-tetraenoic acid is sourced from PubChem (CID 72505843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).