(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid

C20H32O4 — CID 122529712

IUPAC(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C/C=C/C=C/CCCC(OO)C(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(24-23)20(21)22/h6-7,9-10,12-15,19,23H,2-5,8,11,16-18H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,15-14+
InChIKeyXPVWYWTUDHLEPI-PZVVRBJASA-N
MW336.47 g/mol
LogP5.68
Rot. Bonds15

About (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid

(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid (PubChem CID 122529712) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid
PubChem CID122529712
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C/C=C/C=C/CCCC(OO)C(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(24-23)20(21)22/h6-7,9-10,12-15,19,23H,2-5,8,11,16-18H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,15-14+
InChIKeyXPVWYWTUDHLEPI-PZVVRBJASA-N
XLogP5.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.68
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic 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

(2S,9Z,11E,15Z)-2-hydroperoxyoctadeca-9,11,15-trienoic acid
CID 171934196
(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
CID 87630755
2-[(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoyl]oxyicosanoic acid
CID 134754467
2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyicosanoic acid
CID 134728858
2-[(13Z,16Z)-docosa-13,16-dienoyl]oxyoctadecanoic acid
CID 134737432
2-[(13Z,16Z)-docosa-13,16-dienoyl]oxydocosanoic acid
CID 134734518
(5S,6E,8E,11E,14E)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
CID 6526320
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
docosa-4,8,10,13,16-pentaenoic acid
CID 91036975
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
octadeca-6,9,11-trienoic acid
CID 85068576
carbonic acid;12-hydroperoxyicosa-5,8,10,14-tetraene
CID 88652465

Frequently Asked Questions

What is the IUPAC name of (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid?
The IUPAC name of (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid (CID 122529712) is (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid.
What is the SMILES notation for (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid?
The canonical SMILES for (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid is CCCCC/C=C/C/C=C/C/C=C/C=C/CCCC(OO)C(=O)O.
What is the InChIKey of (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid?
The InChIKey is XPVWYWTUDHLEPI-PZVVRBJASA-N. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(24-23)20(21)22/h6-7,9-10,12-15,19,23H,2-5,8,11,16-18H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,15-14+.
What are the key properties of (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid?
(6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid has a molecular weight of 336.47 g/mol, XLogP of 5.68, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,11E,14E)-2-hydroperoxyicosa-6,8,11,14-tetraenoic acid is sourced from PubChem (CID 122529712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).