(12Z,14Z)-hexadeca-12,14-dienoic acid

C16H28O2 — CID 118342328

IUPAC(12Z,14Z)-hexadeca-12,14-dienoic acid
SMILESC/C=C\C=C/CCCCCCCCCCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5H,6-15H2,1H3,(H,17,18)/b3-2-,5-4-
InChIKeyUYFRHDARALZUCJ-LDIADDGTSA-N
MW252.40 g/mol
LogP5.10
Rot. Bonds12

About (12Z,14Z)-hexadeca-12,14-dienoic acid

(12Z,14Z)-hexadeca-12,14-dienoic acid (PubChem CID 118342328) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (12Z,14Z)-hexadeca-12,14-dienoic acid.

Molecular Properties

Compound Name(12Z,14Z)-hexadeca-12,14-dienoic acid
PubChem CID118342328
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(12Z,14Z)-hexadeca-12,14-dienoic acid
SMILESC/C=C\C=C/CCCCCCCCCCC(=O)O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-5H,6-15H2,1H3,(H,17,18)/b3-2-,5-4-
InChIKeyUYFRHDARALZUCJ-LDIADDGTSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trideca-9,11-dienoic acid
CID 56613919
(5E,7E)-nona-5,7-dienoic acid
CID 5312593
(10E,12E,14E,16E,18E)-octacosa-10,12,14,16,18-pentaenedioic acid
CID 12073778
(10E,12Z)-hexadeca-10,12-dienoic acid
CID 87408133
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
dodeca-7,9-dienoic acid
CID 78383934
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
(11E)-trideca-9,11-dien-2-one
CID 161147257
heptacosa-12,14-dienoic acid
CID 172824582
(7E,9E,11Z,13E,15E,17Z)-icosa-7,9,11,13,15,17-hexaenoic acid
CID 138240302
(9E,11Z,13Z,15Z)-octadeca-9,11,13,15-tetraenoic acid
CID 35025837

Frequently Asked Questions

What is the IUPAC name of (12Z,14Z)-hexadeca-12,14-dienoic acid?
The IUPAC name of (12Z,14Z)-hexadeca-12,14-dienoic acid (CID 118342328) is (12Z,14Z)-hexadeca-12,14-dienoic acid.
What is the SMILES notation for (12Z,14Z)-hexadeca-12,14-dienoic acid?
The canonical SMILES for (12Z,14Z)-hexadeca-12,14-dienoic acid is C/C=C\C=C/CCCCCCCCCCC(=O)O.
What is the InChIKey of (12Z,14Z)-hexadeca-12,14-dienoic acid?
The InChIKey is UYFRHDARALZUCJ-LDIADDGTSA-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/h2-5H,6-15H2,1H3,(H,17,18)/b3-2-,5-4-.
What are the key properties of (12Z,14Z)-hexadeca-12,14-dienoic acid?
(12Z,14Z)-hexadeca-12,14-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 (12Z,14Z)-hexadeca-12,14-dienoic acid is sourced from PubChem (CID 118342328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).