(5E,7E)-docosa-5,7-dienoic acid

C22H40O2 — CID 118460642

IUPAC(5E,7E)-docosa-5,7-dienoic acid
SMILESCCCCCCCCCCCCCC/C=C/C=C/CCCC(=O)O
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h15-18H,2-14,19-21H2,1H3,(H,23,24)/b16-15+,18-17+
InChIKeyXHQLOFYNWFLSMS-GKIXDJALSA-N
MW336.56 g/mol
LogP7.44
Rot. Bonds18

About (5E,7E)-docosa-5,7-dienoic acid

(5E,7E)-docosa-5,7-dienoic acid (PubChem CID 118460642) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is (5E,7E)-docosa-5,7-dienoic acid.

Molecular Properties

Compound Name(5E,7E)-docosa-5,7-dienoic acid
PubChem CID118460642
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name(5E,7E)-docosa-5,7-dienoic acid
SMILESCCCCCCCCCCCCCC/C=C/C=C/CCCC(=O)O
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h15-18H,2-14,19-21H2,1H3,(H,23,24)/b16-15+,18-17+
InChIKeyXHQLOFYNWFLSMS-GKIXDJALSA-N
XLogP7.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,7E)-docosa-5,7-dienoic 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

(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
pentadeca-5,7-dienoic acid
CID 123590047
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
heptacosa-12,14-dienoic acid
CID 172824582
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
icosa-8,10,14-trienoic acid
CID 162425913
(Z)-tricos-5-enoic acid
CID 170849785
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
copper;(Z)-docos-13-enoic acid
CID 174615859

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-docosa-5,7-dienoic acid?
The IUPAC name of (5E,7E)-docosa-5,7-dienoic acid (CID 118460642) is (5E,7E)-docosa-5,7-dienoic acid.
What is the SMILES notation for (5E,7E)-docosa-5,7-dienoic acid?
The canonical SMILES for (5E,7E)-docosa-5,7-dienoic acid is CCCCCCCCCCCCCC/C=C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,7E)-docosa-5,7-dienoic acid?
The InChIKey is XHQLOFYNWFLSMS-GKIXDJALSA-N. The full InChI is InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h15-18H,2-14,19-21H2,1H3,(H,23,24)/b16-15+,18-17+.
What are the key properties of (5E,7E)-docosa-5,7-dienoic acid?
(5E,7E)-docosa-5,7-dienoic acid has a molecular weight of 336.56 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-docosa-5,7-dienoic acid is sourced from PubChem (CID 118460642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).