2-hydroxyicosa-2,14-dienoic acid

C20H36O3 — CID 174406784

IUPAC2-hydroxyicosa-2,14-dienoic acid
SMILESCCCCCC=CCCCCCCCCCCC=C(O)C(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,18,21H,2-5,8-17H2,1H3,(H,22,23)
InChIKeyNUEPMEMWKUUICL-UHFFFAOYSA-N
MW324.51 g/mol
LogP6.55
Rot. Bonds16

About 2-hydroxyicosa-2,14-dienoic acid

2-hydroxyicosa-2,14-dienoic acid (PubChem CID 174406784) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-hydroxyicosa-2,14-dienoic acid.

Molecular Properties

Compound Name2-hydroxyicosa-2,14-dienoic acid
PubChem CID174406784
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name2-hydroxyicosa-2,14-dienoic acid
SMILESCCCCCC=CCCCCCCCCCCC=C(O)C(=O)O
InChIInChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,18,21H,2-5,8-17H2,1H3,(H,22,23)
InChIKeyNUEPMEMWKUUICL-UHFFFAOYSA-N
XLogP6.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
carbonic acid;(Z)-octadec-9-ene
CID 87599003
2-methylhenicosa-2,12-dienoic acid
CID 73411111
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
acetic acid;(E)-tetradec-7-ene
CID 174697247
(2E,11E,14E)-2-methylhenicosa-2,11,14-trienoic acid
CID 88938967
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
(14Z)-2-fluorononadeca-2,14-dienoic acid
CID 175559432
2-nonadecylidenepropanedioic acid
CID 19832661
(2E,5E)-2-methyldodeca-2,5-dienoic acid
CID 87411231
2-hydroxyhenicosa-2,4,6,8-tetraenoic acid
CID 175806020
(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid
CID 175436031

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyicosa-2,14-dienoic acid?
The IUPAC name of 2-hydroxyicosa-2,14-dienoic acid (CID 174406784) is 2-hydroxyicosa-2,14-dienoic acid.
What is the SMILES notation for 2-hydroxyicosa-2,14-dienoic acid?
The canonical SMILES for 2-hydroxyicosa-2,14-dienoic acid is CCCCCC=CCCCCCCCCCCC=C(O)C(=O)O.
What is the InChIKey of 2-hydroxyicosa-2,14-dienoic acid?
The InChIKey is NUEPMEMWKUUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,18,21H,2-5,8-17H2,1H3,(H,22,23).
What are the key properties of 2-hydroxyicosa-2,14-dienoic acid?
2-hydroxyicosa-2,14-dienoic acid has a molecular weight of 324.51 g/mol, XLogP of 6.55, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyicosa-2,14-dienoic acid is sourced from PubChem (CID 174406784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).