(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal

C22H33NO4 — CID 173492109

IUPAC(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal
SMILESCC/C=C\C/C=C\CC(O)C(C/C=C\C/C=C\C/C=C\CCC=O)[N+](=O)[O-]
InChIInChI=1S/C22H33NO4/c1-2-3-4-5-13-16-19-22(25)21(23(26)27)18-15-12-10-8-6-7-9-11-14-17-20-24/h3-4,6,8-9,11-13,15-16,20-22,25H,2,5,7,10,14,17-19H2,1H3/b4-3-,8-6-,11-9-,15-12-,16-13-
InChIKeySJVOGTCCNMOPJK-HFGAGAPOSA-N
MW375.51 g/mol
LogP5.11
Rot. Bonds16

About (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal

(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal (PubChem CID 173492109) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal.

Molecular Properties

Compound Name(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal
PubChem CID173492109
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal
SMILESCC/C=C\C/C=C\CC(O)C(C/C=C\C/C=C\C/C=C\CCC=O)[N+](=O)[O-]
InChIInChI=1S/C22H33NO4/c1-2-3-4-5-13-16-19-22(25)21(23(26)27)18-15-12-10-8-6-7-9-11-14-17-20-24/h3-4,6,8-9,11-13,15-16,20-22,25H,2,5,7,10,14,17-19H2,1H3/b4-3-,8-6-,11-9-,15-12-,16-13-
InChIKeySJVOGTCCNMOPJK-HFGAGAPOSA-N
XLogP5.11
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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'}

Analyze (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(12Z,15Z)-9-hydroxy-10-nitrooctadeca-12,15-dienal
CID 173492009
(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal
CID 173492249
docosa-4,8,12,15,19-pentaenal
CID 54481142
(5Z,11Z,14Z)-8-hydroxy-9-nitroicosa-5,11,14-trienoic acid
CID 101152126
(5Z,8Z,14Z)-12-hydroxy-11-nitroicosa-5,8,14-trienoic acid
CID 101152121
(Z)-8,14-dihydroxy-9,15-dinitroicos-11-enal
CID 90092113
(4Z,7Z,10Z,13Z,16E,19Z)-17-nitrodocosa-4,7,10,13,16,19-hexaenal
CID 173492308
(4E,7Z,10E,13E,16E,19E)-7-nitrodocosa-4,7,10,13,16,19-hexaenal
CID 173492310
(Z)-13,16-dihydroxy-12,15-dinitrooctadec-9-enal
CID 90092302
(4Z,7Z,10R,11S,13Z,16Z,19Z)-10,11-dihydroxydocosa-4,7,13,16,19-pentaenoic acid
CID 129364490
(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenal
CID 88953533
(4E,7E,10E,13E,16E,19E)-2-nitrodocosa-4,7,10,13,16,19-hexaenoic acid
CID 87379609

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal?
The IUPAC name of (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal (CID 173492109) is (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal.
What is the SMILES notation for (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal?
The canonical SMILES for (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal is CC/C=C\C/C=C\CC(O)C(C/C=C\C/C=C\C/C=C\CCC=O)[N+](=O)[O-].
What is the InChIKey of (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal?
The InChIKey is SJVOGTCCNMOPJK-HFGAGAPOSA-N. The full InChI is InChI=1S/C22H33NO4/c1-2-3-4-5-13-16-19-22(25)21(23(26)27)18-15-12-10-8-6-7-9-11-14-17-20-24/h3-4,6,8-9,11-13,15-16,20-22,25H,2,5,7,10,14,17-19H2,1H3/b4-3-,8-6-,11-9-,15-12-,16-13-.
What are the key properties of (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal?
(4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal has a molecular weight of 375.51 g/mol, XLogP of 5.11, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal is sourced from PubChem (CID 173492109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).