14-nitroicosa-5,8,11,14-tetraenoic acid

C20H31NO4 — CID 75283120

IUPAC14-nitroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=C(CC=CCC=CCC=CCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C20H31NO4/c1-2-3-4-13-16-19(21(24)25)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h5,7-8,10-11,14,16H,2-4,6,9,12-13,15,17-18H2,1H3,(H,22,23)
InChIKeyQGXVYQKXZZRRKQ-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.82
Rot. Bonds15

About 14-nitroicosa-5,8,11,14-tetraenoic acid

14-nitroicosa-5,8,11,14-tetraenoic acid (PubChem CID 75283120) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is 14-nitroicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name14-nitroicosa-5,8,11,14-tetraenoic acid
PubChem CID75283120
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name14-nitroicosa-5,8,11,14-tetraenoic acid
SMILESCCCCCC=C(CC=CCC=CCC=CCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C20H31NO4/c1-2-3-4-13-16-19(21(24)25)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h5,7-8,10-11,14,16H,2-4,6,9,12-13,15,17-18H2,1H3,(H,22,23)
InChIKeyQGXVYQKXZZRRKQ-UHFFFAOYSA-N
XLogP5.82
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 14-nitroicosa-5,8,11,14-tetraenoic acid 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

(9Z,12Z,15E)-15-nitrooctadeca-9,12,15-trienoic acid
CID 90092242
(4Z,7Z,10Z,13Z,16E)-16-nitrodocosa-4,7,10,13,16-pentaenal
CID 173492145
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
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
10-nitrohexadec-9-enoic acid
CID 74955183
(E)-8-nitrooctadec-8-enoic acid
CID 132533017
8-nitropentadec-8-enoic acid
CID 123226831
(7E,10E,13Z,16E)-13-nitrodocosa-7,10,13,16-tetraenal
CID 173492033
(7Z,10Z,13E,16Z)-13-nitrodocosa-7,10,13,16-tetraenal
CID 173492034

Frequently Asked Questions

What is the IUPAC name of 14-nitroicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of 14-nitroicosa-5,8,11,14-tetraenoic acid (CID 75283120) is 14-nitroicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for 14-nitroicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for 14-nitroicosa-5,8,11,14-tetraenoic acid is CCCCCC=C(CC=CCC=CCC=CCCCC(=O)O)[N+](=O)[O-].
What is the InChIKey of 14-nitroicosa-5,8,11,14-tetraenoic acid?
The InChIKey is QGXVYQKXZZRRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-2-3-4-13-16-19(21(24)25)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h5,7-8,10-11,14,16H,2-4,6,9,12-13,15,17-18H2,1H3,(H,22,23).
What are the key properties of 14-nitroicosa-5,8,11,14-tetraenoic acid?
14-nitroicosa-5,8,11,14-tetraenoic acid has a molecular weight of 349.47 g/mol, XLogP of 5.82, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-nitroicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 75283120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).