5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid

C20H32O4 — CID 169

IUPAC5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
SMILESCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)
InChIKeyVNYSSYRCGWBHLG-UHFFFAOYSA-N
MW336.47 g/mol
LogP4.16
Rot. Bonds14

About 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid

5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid (PubChem CID 169) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid.

Molecular Properties

Compound Name5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
PubChem CID169
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Name5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
SMILESCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)
InChIKeyVNYSSYRCGWBHLG-UHFFFAOYSA-N
XLogP4.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 54.16
H-Bond Donors ≤ 53
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
The IUPAC name of 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid (CID 169) is 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid.
What is the SMILES notation for 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
The canonical SMILES for 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid is CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O.
What is the InChIKey of 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
The InChIKey is VNYSSYRCGWBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24).
What are the key properties of 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid?
5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid has a molecular weight of 336.47 g/mol, XLogP of 4.16, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid is sourced from PubChem (CID 169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).