(8E,11E,14E)-octadeca-8,11,14-trienoic acid

C18H30O2 — CID 6507258

IUPAC(8E,11E,14E)-octadeca-8,11,14-trienoic acid
SMILESCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11H,2-3,6,9,12-17H2,1H3,(H,19,20)/b5-4+,8-7+,11-10+
InChIKeyCTMZJQAVRYEWHS-JSIPCRQOSA-N
MW278.44 g/mol
LogP5.66
Rot. Bonds13

About (8E,11E,14E)-octadeca-8,11,14-trienoic acid

(8E,11E,14E)-octadeca-8,11,14-trienoic acid (PubChem CID 6507258) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (8E,11E,14E)-octadeca-8,11,14-trienoic acid.

Molecular Properties

Compound Name(8E,11E,14E)-octadeca-8,11,14-trienoic acid
PubChem CID6507258
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(8E,11E,14E)-octadeca-8,11,14-trienoic acid
SMILESCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11H,2-3,6,9,12-17H2,1H3,(H,19,20)/b5-4+,8-7+,11-10+
InChIKeyCTMZJQAVRYEWHS-JSIPCRQOSA-N
XLogP5.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.66
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'}

Analyze (8E,11E,14E)-octadeca-8,11,14-trienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(11Z,14Z)-octadeca-11,14-dienoic acid
CID 5312450
henicosa-11,14,17-trienoic acid
CID 169277280
(9Z)-hexadeca-9,12-dienoic acid
CID 87441116
(5Z,13Z,16Z)-icosa-5,13,16-trienoic acid
CID 52921834
(E)-undec-7-enoic acid
CID 5312729
(E)-tetracos-20-enoic acid
CID 171117693
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
(10E,13E)-octadeca-10,13-dienoic acid
CID 22457197
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 (8E,11E,14E)-octadeca-8,11,14-trienoic acid?
The IUPAC name of (8E,11E,14E)-octadeca-8,11,14-trienoic acid (CID 6507258) is (8E,11E,14E)-octadeca-8,11,14-trienoic acid.
What is the SMILES notation for (8E,11E,14E)-octadeca-8,11,14-trienoic acid?
The canonical SMILES for (8E,11E,14E)-octadeca-8,11,14-trienoic acid is CCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O.
What is the InChIKey of (8E,11E,14E)-octadeca-8,11,14-trienoic acid?
The InChIKey is CTMZJQAVRYEWHS-JSIPCRQOSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-5,7-8,10-11H,2-3,6,9,12-17H2,1H3,(H,19,20)/b5-4+,8-7+,11-10+.
What are the key properties of (8E,11E,14E)-octadeca-8,11,14-trienoic acid?
(8E,11E,14E)-octadeca-8,11,14-trienoic acid has a molecular weight of 278.44 g/mol, XLogP of 5.66, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,11E,14E)-octadeca-8,11,14-trienoic acid is sourced from PubChem (CID 6507258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).