(8E,11E)-octadeca-8,11-dienoic acid

C18H32O2 — CID 5312487

IUPAC(8E,11E)-octadeca-8,11-dienoic acid
SMILESCCCCCC/C=C/C/C=C/CCCCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3,(H,19,20)/b8-7+,11-10+
InChIKeyWBTBKRBXTLZUJG-ZDVGBALWSA-N
MW280.45 g/mol
LogP5.88
Rot. Bonds14

About (8E,11E)-octadeca-8,11-dienoic acid

(8E,11E)-octadeca-8,11-dienoic acid (PubChem CID 5312487) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (8E,11E)-octadeca-8,11-dienoic acid.

Molecular Properties

Compound Name(8E,11E)-octadeca-8,11-dienoic acid
PubChem CID5312487
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(8E,11E)-octadeca-8,11-dienoic acid
SMILESCCCCCC/C=C/C/C=C/CCCCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3,(H,19,20)/b8-7+,11-10+
InChIKeyWBTBKRBXTLZUJG-ZDVGBALWSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.88
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)-docosa-7,10,13,16-tetraenoic acid
CID 87131782
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800

Frequently Asked Questions

What is the IUPAC name of (8E,11E)-octadeca-8,11-dienoic acid?
The IUPAC name of (8E,11E)-octadeca-8,11-dienoic acid (CID 5312487) is (8E,11E)-octadeca-8,11-dienoic acid.
What is the SMILES notation for (8E,11E)-octadeca-8,11-dienoic acid?
The canonical SMILES for (8E,11E)-octadeca-8,11-dienoic acid is CCCCCC/C=C/C/C=C/CCCCCCC(=O)O.
What is the InChIKey of (8E,11E)-octadeca-8,11-dienoic acid?
The InChIKey is WBTBKRBXTLZUJG-ZDVGBALWSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,10-11H,2-6,9,12-17H2,1H3,(H,19,20)/b8-7+,11-10+.
What are the key properties of (8E,11E)-octadeca-8,11-dienoic acid?
(8E,11E)-octadeca-8,11-dienoic acid has a molecular weight of 280.45 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,11E)-octadeca-8,11-dienoic acid is sourced from PubChem (CID 5312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).