(3E,11E,14E)-icosa-3,11,14-trienoic acid

C20H34O2 — CID 23220132

IUPAC(3E,11E,14E)-icosa-3,11,14-trienoic acid
SMILESCCCCC/C=C/C/C=C/CCCCCC/C=C/CC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,17-18H,2-5,8,11-16,19H2,1H3,(H,21,22)/b7-6+,10-9+,18-17+
InChIKeyWNKYURAZFJAGEF-KJMXCGBQSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About (3E,11E,14E)-icosa-3,11,14-trienoic acid

(3E,11E,14E)-icosa-3,11,14-trienoic acid (PubChem CID 23220132) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (3E,11E,14E)-icosa-3,11,14-trienoic acid.

Molecular Properties

Compound Name(3E,11E,14E)-icosa-3,11,14-trienoic acid
PubChem CID23220132
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(3E,11E,14E)-icosa-3,11,14-trienoic acid
SMILESCCCCC/C=C/C/C=C/CCCCCC/C=C/CC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,17-18H,2-5,8,11-16,19H2,1H3,(H,21,22)/b7-6+,10-9+,18-17+
InChIKeyWNKYURAZFJAGEF-KJMXCGBQSA-N
XLogP6.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.44
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

(3E,6E,14E)-icosa-3,6,14-trienoic acid
CID 166679745
(3Z,6Z)-hexadeca-3,6-dienoic acid
CID 87941729
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
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
(4E,7Z)-hexadeca-4,7-dienoic acid
CID 138137773
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

Frequently Asked Questions

What is the IUPAC name of (3E,11E,14E)-icosa-3,11,14-trienoic acid?
The IUPAC name of (3E,11E,14E)-icosa-3,11,14-trienoic acid (CID 23220132) is (3E,11E,14E)-icosa-3,11,14-trienoic acid.
What is the SMILES notation for (3E,11E,14E)-icosa-3,11,14-trienoic acid?
The canonical SMILES for (3E,11E,14E)-icosa-3,11,14-trienoic acid is CCCCC/C=C/C/C=C/CCCCCC/C=C/CC(=O)O.
What is the InChIKey of (3E,11E,14E)-icosa-3,11,14-trienoic acid?
The InChIKey is WNKYURAZFJAGEF-KJMXCGBQSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,17-18H,2-5,8,11-16,19H2,1H3,(H,21,22)/b7-6+,10-9+,18-17+.
What are the key properties of (3E,11E,14E)-icosa-3,11,14-trienoic acid?
(3E,11E,14E)-icosa-3,11,14-trienoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.44, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11E,14E)-icosa-3,11,14-trienoic acid is sourced from PubChem (CID 23220132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).