(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid

C20H32O2 — CID 5312542

IUPAC(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
InChIKeyYZXBAPSDXZZRGB-CGRWFSSPSA-N
MW304.47 g/mol
LogP6.22
Rot. Bonds14

About (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid

(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid (PubChem CID 5312542) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid
PubChem CID5312542
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+
InChIKeyYZXBAPSDXZZRGB-CGRWFSSPSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.22
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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Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid (CID 5312542) is (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid is CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid?
The InChIKey is YZXBAPSDXZZRGB-CGRWFSSPSA-N. The full InChI is InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+.
What are the key properties of (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid?
(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid has a molecular weight of 304.47 g/mol, XLogP of 6.22, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 5312542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).