(5E,8E,11E)-hexadeca-5,8,11-trienoic acid

C16H26O2 — CID 5282810

IUPAC(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
SMILESCCCC/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12H,2-4,7,10,13-15H2,1H3,(H,17,18)/b6-5+,9-8+,12-11+
InChIKeyJGTFGPXKMOGVGT-XSHSMGBESA-N
MW250.38 g/mol
LogP4.88
Rot. Bonds11

About (5E,8E,11E)-hexadeca-5,8,11-trienoic acid

(5E,8E,11E)-hexadeca-5,8,11-trienoic acid (PubChem CID 5282810) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (5E,8E,11E)-hexadeca-5,8,11-trienoic acid.

Molecular Properties

Compound Name(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
PubChem CID5282810
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
SMILESCCCC/C=C/C/C=C/C/C=C/CCCC(=O)O
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12H,2-4,7,10,13-15H2,1H3,(H,17,18)/b6-5+,9-8+,12-11+
InChIKeyJGTFGPXKMOGVGT-XSHSMGBESA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.88
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

hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
CID 87290377
CID 87290377
octadeca-5,8,12-trienoic acid
CID 173410931
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
tetracosa-16,19-dienoic acid
CID 169277269
(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
CID 127257850

Frequently Asked Questions

What is the IUPAC name of (5E,8E,11E)-hexadeca-5,8,11-trienoic acid?
The IUPAC name of (5E,8E,11E)-hexadeca-5,8,11-trienoic acid (CID 5282810) is (5E,8E,11E)-hexadeca-5,8,11-trienoic acid.
What is the SMILES notation for (5E,8E,11E)-hexadeca-5,8,11-trienoic acid?
The canonical SMILES for (5E,8E,11E)-hexadeca-5,8,11-trienoic acid is CCCC/C=C/C/C=C/C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8E,11E)-hexadeca-5,8,11-trienoic acid?
The InChIKey is JGTFGPXKMOGVGT-XSHSMGBESA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6,8-9,11-12H,2-4,7,10,13-15H2,1H3,(H,17,18)/b6-5+,9-8+,12-11+.
What are the key properties of (5E,8E,11E)-hexadeca-5,8,11-trienoic acid?
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid has a molecular weight of 250.38 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8E,11E)-hexadeca-5,8,11-trienoic acid is sourced from PubChem (CID 5282810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).