(6E,9E)-hexadeca-6,9-dienoic acid

C16H28O2 — CID 5312424

IUPAC(6E,9E)-hexadeca-6,9-dienoic acid
SMILESCCCCCC/C=C/C/C=C/CCCCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,17,18)/b8-7+,11-10+
InChIKeyJZJWNDAFHKZSNQ-ZDVGBALWSA-N
MW252.40 g/mol
LogP5.10
Rot. Bonds12

About (6E,9E)-hexadeca-6,9-dienoic acid

(6E,9E)-hexadeca-6,9-dienoic acid (PubChem CID 5312424) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (6E,9E)-hexadeca-6,9-dienoic acid.

Molecular Properties

Compound Name(6E,9E)-hexadeca-6,9-dienoic acid
PubChem CID5312424
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(6E,9E)-hexadeca-6,9-dienoic acid
SMILESCCCCCC/C=C/C/C=C/CCCCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,17,18)/b8-7+,11-10+
InChIKeyJZJWNDAFHKZSNQ-ZDVGBALWSA-N
XLogP5.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.10
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-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
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(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
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800

Frequently Asked Questions

What is the IUPAC name of (6E,9E)-hexadeca-6,9-dienoic acid?
The IUPAC name of (6E,9E)-hexadeca-6,9-dienoic acid (CID 5312424) is (6E,9E)-hexadeca-6,9-dienoic acid.
What is the SMILES notation for (6E,9E)-hexadeca-6,9-dienoic acid?
The canonical SMILES for (6E,9E)-hexadeca-6,9-dienoic acid is CCCCCC/C=C/C/C=C/CCCCC(=O)O.
What is the InChIKey of (6E,9E)-hexadeca-6,9-dienoic acid?
The InChIKey is JZJWNDAFHKZSNQ-ZDVGBALWSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8,10-11H,2-6,9,12-15H2,1H3,(H,17,18)/b8-7+,11-10+.
What are the key properties of (6E,9E)-hexadeca-6,9-dienoic acid?
(6E,9E)-hexadeca-6,9-dienoic acid has a molecular weight of 252.40 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9E)-hexadeca-6,9-dienoic acid is sourced from PubChem (CID 5312424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).