(10E,13E)-octadeca-10,13-dienoic acid

C18H32O2 — CID 22457197

IUPAC(10E,13E)-octadeca-10,13-dienoic acid
SMILESCCCC/C=C/C/C=C/CCCCCCCCC(=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/h5-6,8-9H,2-4,7,10-17H2,1H3,(H,19,20)/b6-5+,9-8+
InChIKeyZODRLJLUCBBQSJ-HHWLVVFRSA-N
MW280.45 g/mol
LogP5.88
Rot. Bonds14

About (10E,13E)-octadeca-10,13-dienoic acid

(10E,13E)-octadeca-10,13-dienoic acid (PubChem CID 22457197) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (10E,13E)-octadeca-10,13-dienoic acid.

Molecular Properties

Compound Name(10E,13E)-octadeca-10,13-dienoic acid
PubChem CID22457197
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(10E,13E)-octadeca-10,13-dienoic acid
SMILESCCCC/C=C/C/C=C/CCCCCCCCC(=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/h5-6,8-9H,2-4,7,10-17H2,1H3,(H,19,20)/b6-5+,9-8+
InChIKeyZODRLJLUCBBQSJ-HHWLVVFRSA-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-16,19-dienoic acid
CID 169277269
(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
CID 127257850
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
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
(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

Frequently Asked Questions

What is the IUPAC name of (10E,13E)-octadeca-10,13-dienoic acid?
The IUPAC name of (10E,13E)-octadeca-10,13-dienoic acid (CID 22457197) is (10E,13E)-octadeca-10,13-dienoic acid.
What is the SMILES notation for (10E,13E)-octadeca-10,13-dienoic acid?
The canonical SMILES for (10E,13E)-octadeca-10,13-dienoic acid is CCCC/C=C/C/C=C/CCCCCCCCC(=O)O.
What is the InChIKey of (10E,13E)-octadeca-10,13-dienoic acid?
The InChIKey is ZODRLJLUCBBQSJ-HHWLVVFRSA-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/h5-6,8-9H,2-4,7,10-17H2,1H3,(H,19,20)/b6-5+,9-8+.
What are the key properties of (10E,13E)-octadeca-10,13-dienoic acid?
(10E,13E)-octadeca-10,13-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 (10E,13E)-octadeca-10,13-dienoic acid is sourced from PubChem (CID 22457197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).