(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal

C20H33NO4 — CID 173492389

IUPAC(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal
SMILESCCCCC/C(O)=C(\CCCC/C=C\C/C=C\CCCC=O)[N+](=O)[O-]
InChIInChI=1S/C20H33NO4/c1-2-3-13-17-20(23)19(21(24)25)16-14-11-9-7-5-4-6-8-10-12-15-18-22/h5-8,18,23H,2-4,9-17H2,1H3/b7-5-,8-6-,20-19-
InChIKeyUAUQFJZZLOXTLB-XYWZEEPDSA-N
MW351.49 g/mol
LogP6.05
Rot. Bonds16

About (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal

(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal (PubChem CID 173492389) has the molecular formula C20H33NO4 and a molecular weight of 351.49 g/mol. Its IUPAC name is (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal.

Molecular Properties

Compound Name(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal
PubChem CID173492389
Molecular FormulaC20H33NO4
Molecular Weight351.49 g/mol
Exact Mass351.24
IUPAC Name(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal
SMILESCCCCC/C(O)=C(\CCCC/C=C\C/C=C\CCCC=O)[N+](=O)[O-]
InChIInChI=1S/C20H33NO4/c1-2-3-13-17-20(23)19(21(24)25)16-14-11-9-7-5-4-6-8-10-12-15-18-22/h5-8,18,23H,2-4,9-17H2,1H3/b7-5-,8-6-,20-19-
InChIKeyUAUQFJZZLOXTLB-XYWZEEPDSA-N
XLogP6.05
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal with MolForge

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Related Compounds

icosa-5,8,11,14-tetraenal
CID 54011823
(9E,12E)-9-nitrooctadeca-9,12-dienal
CID 173492035
(6E,9Z,12Z)-10,13-dinitrooctadeca-6,9,12-trienal
CID 173492247
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
(7Z,10Z,13E,16Z)-13-nitrodocosa-7,10,13,16-tetraenal
CID 173492034
(7E,10E,13Z,16E)-13-nitrodocosa-7,10,13,16-tetraenal
CID 173492033
heptadeca-9,12-dienal
CID 76609850
(6E,12E)-octadeca-6,12-dienal
CID 10220937
(7Z,10Z,13Z,16Z)-5-hydroxy-4-nitrodocosa-7,10,13,16-tetraenal
CID 173492249
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal?
The IUPAC name of (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal (CID 173492389) is (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal.
What is the SMILES notation for (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal?
The canonical SMILES for (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal is CCCCC/C(O)=C(\CCCC/C=C\C/C=C\CCCC=O)[N+](=O)[O-].
What is the InChIKey of (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal?
The InChIKey is UAUQFJZZLOXTLB-XYWZEEPDSA-N. The full InChI is InChI=1S/C20H33NO4/c1-2-3-13-17-20(23)19(21(24)25)16-14-11-9-7-5-4-6-8-10-12-15-18-22/h5-8,18,23H,2-4,9-17H2,1H3/b7-5-,8-6-,20-19-.
What are the key properties of (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal?
(5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal has a molecular weight of 351.49 g/mol, XLogP of 6.05, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,14Z)-15-hydroxy-14-nitroicosa-5,8,14-trienal is sourced from PubChem (CID 173492389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).