20-hydroxyicosa-2,5-dienoic acid

C20H36O3 — CID 91232457

IUPAC20-hydroxyicosa-2,5-dienoic acid
SMILESO=C(O)C=CCC=CCCCCCCCCCCCCCCO
InChIInChI=1S/C20H36O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h10,12,16,18,21H,1-9,11,13-15,17,19H2,(H,22,23)
InChIKeyKNVXTFQPZBTAAL-UHFFFAOYSA-N
MW324.50 g/mol
LogP5.64
Rot. Bonds17

About 20-hydroxyicosa-2,5-dienoic acid

20-hydroxyicosa-2,5-dienoic acid (PubChem CID 91232457) has the molecular formula C20H36O3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 20-hydroxyicosa-2,5-dienoic acid.

Molecular Properties

Compound Name20-hydroxyicosa-2,5-dienoic acid
PubChem CID91232457
Molecular FormulaC20H36O3
Molecular Weight324.50 g/mol
Exact Mass324.27
IUPAC Name20-hydroxyicosa-2,5-dienoic acid
SMILESO=C(O)C=CCC=CCCCCCCCCCCCCCCO
InChIInChI=1S/C20H36O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h10,12,16,18,21H,1-9,11,13-15,17,19H2,(H,22,23)
InChIKeyKNVXTFQPZBTAAL-UHFFFAOYSA-N
XLogP5.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.50
LogP ≤ 55.64
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-10-hydroxydec-2-enoic acid
CID 5312738
acetic acid;(9E)-tetradeca-9,12-dien-1-ol
CID 122715473
(3Z,6Z)-12-hydroxydodeca-3,6-dienoic acid
CID 5312748
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
CID 122652097
(2Z,5Z,8Z,11Z)-hexadeca-2,5,8,11-tetraenoic acid
CID 131839761
30-hydroxytriaconta-3,13,18,21-tetraenal
CID 54434513
(E)-but-2-enedioic acid;decane-1,10-diol
CID 175360158
hexadec-8-ene-1,16-diol
CID 54395986

Frequently Asked Questions

What is the IUPAC name of 20-hydroxyicosa-2,5-dienoic acid?
The IUPAC name of 20-hydroxyicosa-2,5-dienoic acid (CID 91232457) is 20-hydroxyicosa-2,5-dienoic acid.
What is the SMILES notation for 20-hydroxyicosa-2,5-dienoic acid?
The canonical SMILES for 20-hydroxyicosa-2,5-dienoic acid is O=C(O)C=CCC=CCCCCCCCCCCCCCCO.
What is the InChIKey of 20-hydroxyicosa-2,5-dienoic acid?
The InChIKey is KNVXTFQPZBTAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h10,12,16,18,21H,1-9,11,13-15,17,19H2,(H,22,23).
What are the key properties of 20-hydroxyicosa-2,5-dienoic acid?
20-hydroxyicosa-2,5-dienoic acid has a molecular weight of 324.50 g/mol, XLogP of 5.64, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-hydroxyicosa-2,5-dienoic acid is sourced from PubChem (CID 91232457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).