(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid

C20H33NO5 — CID 101152126

IUPAC(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid
SMILESCCCCC/C=C\C/C=C\CC(C(O)C/C=C\CCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C20H33NO5/c1-2-3-4-5-6-7-8-9-12-15-18(21(25)26)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-
InChIKeyZDBHRKNIMHFGLR-TYAUOURKSA-N
MW367.49 g/mol
LogP4.67
Rot. Bonds16

About (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid

(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid (PubChem CID 101152126) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid.

Molecular Properties

Compound Name(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid
PubChem CID101152126
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Name(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid
SMILESCCCCC/C=C\C/C=C\CC(C(O)C/C=C\CCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C20H33NO5/c1-2-3-4-5-6-7-8-9-12-15-18(21(25)26)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-
InChIKeyZDBHRKNIMHFGLR-TYAUOURKSA-N
XLogP4.67
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z,8Z,14Z)-12-hydroxy-11-nitroicosa-5,8,14-trienoic acid
CID 101152121
(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
CID 5283144
13-hydroxy-12-nitrooctadec-9-enoic acid
CID 86094608
(Z)-13-hydroxy-12-nitrooctadec-9-enoic acid
CID 88900450
(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
CID 171042985
(5Z,8Z,11Z)-14,15-dihydroxyicosa-5,8,11-trienoic acid
CID 5283147
(5R,6R,8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoic acid
CID 25320586
(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal
CID 173492249
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865

Frequently Asked Questions

What is the IUPAC name of (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid?
The IUPAC name of (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid (CID 101152126) is (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid.
What is the SMILES notation for (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid?
The canonical SMILES for (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid is CCCCC/C=C\C/C=C\CC(C(O)C/C=C\CCCC(=O)O)[N+](=O)[O-].
What is the InChIKey of (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid?
The InChIKey is ZDBHRKNIMHFGLR-TYAUOURKSA-N. The full InChI is InChI=1S/C20H33NO5/c1-2-3-4-5-6-7-8-9-12-15-18(21(25)26)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,22H,2-5,8,11,14-17H2,1H3,(H,23,24)/b7-6-,12-9-,13-10-.
What are the key properties of (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid?
(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid has a molecular weight of 367.49 g/mol, XLogP of 4.67, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid is sourced from PubChem (CID 101152126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).