(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid

C20H32O3 — CID 6437873

IUPAC(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid
SMILESCCCCCC(O)CCCCC/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-6,8,10,12,15,18-19,21H,2-3,7,9,11,13-14,16-17H2,1H3,(H,22,23)/b5-4+,8-6+,12-10+,18-15+
InChIKeyGQHZVWMHPQXBIA-QYANQBPOSA-N
MW320.47 g/mol
LogP5.19
Rot. Bonds14

About (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid

(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid (PubChem CID 6437873) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid.

Molecular Properties

Compound Name(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid
PubChem CID6437873
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid
SMILESCCCCCC(O)CCCCC/C=C/C=C/C=C/C=C/C(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-6,8,10,12,15,18-19,21H,2-3,7,9,11,13-14,16-17H2,1H3,(H,22,23)/b5-4+,8-6+,12-10+,18-15+
InChIKeyGQHZVWMHPQXBIA-QYANQBPOSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid?
The IUPAC name of (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid (CID 6437873) is (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid.
What is the SMILES notation for (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid?
The canonical SMILES for (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid is CCCCCC(O)CCCCC/C=C/C=C/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid?
The InChIKey is GQHZVWMHPQXBIA-QYANQBPOSA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-6,8,10,12,15,18-19,21H,2-3,7,9,11,13-14,16-17H2,1H3,(H,22,23)/b5-4+,8-6+,12-10+,18-15+.
What are the key properties of (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid?
(2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-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 (2E,4E,6E,8E)-15-hydroxyicosa-2,4,6,8-tetraenoic acid is sourced from PubChem (CID 6437873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).