(6E,12Z)-octadeca-6,12-dienoic acid

C18H32O2 — CID 101251526

IUPAC(6E,12Z)-octadeca-6,12-dienoic acid
SMILESCCCCC/C=C\CCCC/C=C/CCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,19,20)/b7-6-,13-12+
InChIKeyMPYXXVUQSWUMGN-NQFDUOLLSA-N
MW280.45 g/mol
LogP5.88
Rot. Bonds14

About (6E,12Z)-octadeca-6,12-dienoic acid

(6E,12Z)-octadeca-6,12-dienoic acid (PubChem CID 101251526) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is (6E,12Z)-octadeca-6,12-dienoic acid.

Molecular Properties

Compound Name(6E,12Z)-octadeca-6,12-dienoic acid
PubChem CID101251526
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name(6E,12Z)-octadeca-6,12-dienoic acid
SMILESCCCCC/C=C\CCCC/C=C/CCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,19,20)/b7-6-,13-12+
InChIKeyMPYXXVUQSWUMGN-NQFDUOLLSA-N
XLogP5.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 55.88
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

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of (6E,12Z)-octadeca-6,12-dienoic acid?
The IUPAC name of (6E,12Z)-octadeca-6,12-dienoic acid (CID 101251526) is (6E,12Z)-octadeca-6,12-dienoic acid.
What is the SMILES notation for (6E,12Z)-octadeca-6,12-dienoic acid?
The canonical SMILES for (6E,12Z)-octadeca-6,12-dienoic acid is CCCCC/C=C\CCCC/C=C/CCCCC(=O)O.
What is the InChIKey of (6E,12Z)-octadeca-6,12-dienoic acid?
The InChIKey is MPYXXVUQSWUMGN-NQFDUOLLSA-N. The full InChI is InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,12-13H,2-5,8-11,14-17H2,1H3,(H,19,20)/b7-6-,13-12+.
What are the key properties of (6E,12Z)-octadeca-6,12-dienoic acid?
(6E,12Z)-octadeca-6,12-dienoic acid has a molecular weight of 280.45 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,12Z)-octadeca-6,12-dienoic acid is sourced from PubChem (CID 101251526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).