(4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid

C16H24O2 — CID 5282832

IUPAC(4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid
SMILESC/C=C/C/C=C/CC/C=C/C/C=C/CCC(=O)O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,1H3,(H,17,18)/b3-2+,6-5+,10-9+,13-12+
InChIKeyZZNKKFHDVFOAEZ-VAAAAXNRSA-N
MW248.37 g/mol
LogP4.66
Rot. Bonds10

About (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid

(4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid (PubChem CID 5282832) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid.

Molecular Properties

Compound Name(4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid
PubChem CID5282832
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid
SMILESC/C=C/C/C=C/CC/C=C/C/C=C/CCC(=O)O
InChIInChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,1H3,(H,17,18)/b3-2+,6-5+,10-9+,13-12+
InChIKeyZZNKKFHDVFOAEZ-VAAAAXNRSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.66
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid?
The IUPAC name of (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid (CID 5282832) is (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid.
What is the SMILES notation for (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid?
The canonical SMILES for (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid is C/C=C/C/C=C/CC/C=C/C/C=C/CCC(=O)O.
What is the InChIKey of (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid?
The InChIKey is ZZNKKFHDVFOAEZ-VAAAAXNRSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-3,5-6,9-10,12-13H,4,7-8,11,14-15H2,1H3,(H,17,18)/b3-2+,6-5+,10-9+,13-12+.
What are the key properties of (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid?
(4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7E,11E,14E)-hexadeca-4,7,11,14-tetraenoic acid is sourced from PubChem (CID 5282832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).