(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid

C20H32O3 — CID 6438686

IUPAC(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)CC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-
InChIKeyHVJLGJXEWCPPDB-DOFZRALJSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid

(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid (PubChem CID 6438686) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid
PubChem CID6438686
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)CC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-
InChIKeyHVJLGJXEWCPPDB-DOFZRALJSA-N
XLogP5.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.19
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid (CID 6438686) is (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)CC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid?
The InChIKey is HVJLGJXEWCPPDB-DOFZRALJSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid?
(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 5.19, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 6438686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).