(9Z,11E)-octadeca-9,11-dienoic acid

C18H32O2 — CID 5280644

IUPAC(9Z,11E)-octadeca-9,11-dienoic acid
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=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/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
InChIKeyJBYXPOFIGCOSSB-GOJKSUSPSA-N
MW280.45 g/mol
LogP5.88
Rot. Bonds14

About (9Z,11E)-octadeca-9,11-dienoic acid

(9Z,11E)-octadeca-9,11-dienoic acid (PubChem CID 5280644) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (9Z,11E)-octadeca-9,11-dienoic acid.

Molecular Properties

Compound Name(9Z,11E)-octadeca-9,11-dienoic acid
PubChem CID5280644
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(9Z,11E)-octadeca-9,11-dienoic acid
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=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/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
InChIKeyJBYXPOFIGCOSSB-GOJKSUSPSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Oleic Acid
CID 445639
Linolenic Acid
CID 5280934
Linoleic Acid
CID 5280450
Erucic Acid
CID 5281116
Ricinoleic Acid
CID 643684
Elaidic Acid
CID 637517
Palmitoleic Acid
CID 445638
Gamma-Linolenic acid
CID 5280933
Docosapentaenoic Acid
CID 5497182
Dihomo-Gamma-Linolenic Acid
CID 5280581
Methyl Oleate
CID 5364509
Sodium Oleate
CID 23665730

Frequently Asked Questions

What is the IUPAC name of (9Z,11E)-octadeca-9,11-dienoic acid?
The IUPAC name of (9Z,11E)-octadeca-9,11-dienoic acid (CID 5280644) is (9Z,11E)-octadeca-9,11-dienoic acid.
What is the SMILES notation for (9Z,11E)-octadeca-9,11-dienoic acid?
The canonical SMILES for (9Z,11E)-octadeca-9,11-dienoic acid is CCCCCC/C=C/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (9Z,11E)-octadeca-9,11-dienoic acid?
The InChIKey is JBYXPOFIGCOSSB-GOJKSUSPSA-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/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-.
What are the key properties of (9Z,11E)-octadeca-9,11-dienoic acid?
(9Z,11E)-octadeca-9,11-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 (9Z,11E)-octadeca-9,11-dienoic acid is sourced from PubChem (CID 5280644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).