(7Z)-docosa-7,10,13,16-tetraenoic acid

C22H36O2 — CID 87131782

IUPAC(7Z)-docosa-7,10,13,16-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CC/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6?,10-9?,13-12?,16-15-
InChIKeyTWSWSIQAPQLDBP-UYCDHEJMSA-N
MW332.53 g/mol
LogP7.00
Rot. Bonds16

About (7Z)-docosa-7,10,13,16-tetraenoic acid

(7Z)-docosa-7,10,13,16-tetraenoic acid (PubChem CID 87131782) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is (7Z)-docosa-7,10,13,16-tetraenoic acid.

Molecular Properties

Compound Name(7Z)-docosa-7,10,13,16-tetraenoic acid
PubChem CID87131782
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name(7Z)-docosa-7,10,13,16-tetraenoic acid
SMILESCCCCCC=CCC=CCC=CC/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6?,10-9?,13-12?,16-15-
InChIKeyTWSWSIQAPQLDBP-UYCDHEJMSA-N
XLogP7.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800
triaconta-13,16,19-trienoic acid
CID 169277220

Frequently Asked Questions

What is the IUPAC name of (7Z)-docosa-7,10,13,16-tetraenoic acid?
The IUPAC name of (7Z)-docosa-7,10,13,16-tetraenoic acid (CID 87131782) is (7Z)-docosa-7,10,13,16-tetraenoic acid.
What is the SMILES notation for (7Z)-docosa-7,10,13,16-tetraenoic acid?
The canonical SMILES for (7Z)-docosa-7,10,13,16-tetraenoic acid is CCCCCC=CCC=CCC=CC/C=C\CCCCCC(=O)O.
What is the InChIKey of (7Z)-docosa-7,10,13,16-tetraenoic acid?
The InChIKey is TWSWSIQAPQLDBP-UYCDHEJMSA-N. The full InChI is InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/b7-6?,10-9?,13-12?,16-15-.
What are the key properties of (7Z)-docosa-7,10,13,16-tetraenoic acid?
(7Z)-docosa-7,10,13,16-tetraenoic acid has a molecular weight of 332.53 g/mol, XLogP of 7.00, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-docosa-7,10,13,16-tetraenoic acid is sourced from PubChem (CID 87131782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).