potassium (9Z,12Z)-octadeca-9,12-dienoate

C18H31KO2 — CID 23684895

IUPACpotassium (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6-,10-9-;
InChIKeyBAYJYBALPIYBQQ-NBTZWHCOSA-M
MW318.54 g/mol
LogP1.55
Rot. Bonds14

About potassium (9Z,12Z)-octadeca-9,12-dienoate

potassium (9Z,12Z)-octadeca-9,12-dienoate (PubChem CID 23684895) has the molecular formula C18H31KO2 and a molecular weight of 318.54 g/mol. Its IUPAC name is potassium (9Z,12Z)-octadeca-9,12-dienoate.

Molecular Properties

Compound Namepotassium (9Z,12Z)-octadeca-9,12-dienoate
PubChem CID23684895
Molecular FormulaC18H31KO2
Molecular Weight318.54 g/mol
Exact Mass318.20
IUPAC Namepotassium (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6-,10-9-;
InChIKeyBAYJYBALPIYBQQ-NBTZWHCOSA-M
XLogP1.55
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 potassium (9Z,12Z)-octadeca-9,12-dienoate?
The IUPAC name of potassium (9Z,12Z)-octadeca-9,12-dienoate (CID 23684895) is potassium (9Z,12Z)-octadeca-9,12-dienoate.
What is the SMILES notation for potassium (9Z,12Z)-octadeca-9,12-dienoate?
The canonical SMILES for potassium (9Z,12Z)-octadeca-9,12-dienoate is CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium (9Z,12Z)-octadeca-9,12-dienoate?
The InChIKey is BAYJYBALPIYBQQ-NBTZWHCOSA-M. The full InChI is InChI=1S/C18H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6-,10-9-;.
What are the key properties of potassium (9Z,12Z)-octadeca-9,12-dienoate?
potassium (9Z,12Z)-octadeca-9,12-dienoate has a molecular weight of 318.54 g/mol, XLogP of 1.55, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (9Z,12Z)-octadeca-9,12-dienoate is sourced from PubChem (CID 23684895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).