(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal

C22H35NO4 — CID 173492249

IUPAC(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(CCC=O)[N+](=O)[O-]
InChIInChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)21(23(26)27)18-17-20-24/h6-7,9-10,12-13,15-16,20-22,25H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRQHJOGVPQCEVQQ-DOFZRALJSA-N
MW377.53 g/mol
LogP5.34
Rot. Bonds17

About (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal

(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal (PubChem CID 173492249) has the molecular formula C22H35NO4 and a molecular weight of 377.53 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal
PubChem CID173492249
Molecular FormulaC22H35NO4
Molecular Weight377.53 g/mol
Exact Mass377.26
IUPAC Name(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(CCC=O)[N+](=O)[O-]
InChIInChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)21(23(26)27)18-17-20-24/h6-7,9-10,12-13,15-16,20-22,25H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyRQHJOGVPQCEVQQ-DOFZRALJSA-N
XLogP5.34
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.34
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 (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal 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

(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,16Z,19Z)-14-hydroxy-13-nitrodocosa-4,7,10,16,19-pentaenal
CID 173492109
(12Z,15Z)-9-hydroxy-10-nitrooctadeca-12,15-dienal
CID 173492009
(6E,9E,12E,15E)-1-nitrohenicosa-6,9,12,15-tetraen-2-ol
CID 22344850
13-hydroxy-12-nitrooctadec-9-enoic acid
CID 86094608
(Z)-13-hydroxy-12-nitrooctadec-9-enoic acid
CID 88900450
[(Z)-7-nitropentadec-9-en-6-yl] nitrate
CID 177424178
(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal
CID 173492389
(Z)-13,16-dihydroxy-12,15-dinitrooctadec-9-enal
CID 90092302
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal?
The IUPAC name of (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal (CID 173492249) is (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal.
What is the SMILES notation for (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal?
The canonical SMILES for (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(CCC=O)[N+](=O)[O-].
What is the InChIKey of (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal?
The InChIKey is RQHJOGVPQCEVQQ-DOFZRALJSA-N. The full InChI is InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)21(23(26)27)18-17-20-24/h6-7,9-10,12-13,15-16,20-22,25H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal?
(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal has a molecular weight of 377.53 g/mol, XLogP of 5.34, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal is sourced from PubChem (CID 173492249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).