potassium (10E,12E)-octadeca-10,12-dienoate

C18H31KO2 — CID 101366415

IUPACpotassium (10E,12E)-octadeca-10,12-dienoate
SMILESCCCCC/C=C/C=C/CCCCCCCCC(=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;/h6-9H,2-5,10-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6+,9-8+;
InChIKeySLFOLIUKJJDAPO-QQPZBMOZSA-M
MW318.54 g/mol
LogP1.55
Rot. Bonds14

About potassium (10E,12E)-octadeca-10,12-dienoate

potassium (10E,12E)-octadeca-10,12-dienoate (PubChem CID 101366415) has the molecular formula C18H31KO2 and a molecular weight of 318.54 g/mol. Its IUPAC name is potassium (10E,12E)-octadeca-10,12-dienoate.

Molecular Properties

Compound Namepotassium (10E,12E)-octadeca-10,12-dienoate
PubChem CID101366415
Molecular FormulaC18H31KO2
Molecular Weight318.54 g/mol
Exact Mass318.20
IUPAC Namepotassium (10E,12E)-octadeca-10,12-dienoate
SMILESCCCCC/C=C/C=C/CCCCCCCCC(=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;/h6-9H,2-5,10-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6+,9-8+;
InChIKeySLFOLIUKJJDAPO-QQPZBMOZSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9Z,11E,13Z)-octadeca-9,11,13-trienoate
CID 25244650
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
lithium (Z)-octadec-9-enoate
CID 23673654
tris(octadec-9-enoate);thulium(3+)
CID 173065522
iron(3+);(Z)-octadec-9-enoate
CID 22297787
mercury(2+);bis(octadec-9-enoate)
CID 14495
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426
copper bis((Z)-octadec-11-enoate)
CID 175691872
copper bis((Z)-octadec-9-enoate)
CID 6436661

Frequently Asked Questions

What is the IUPAC name of potassium (10E,12E)-octadeca-10,12-dienoate?
The IUPAC name of potassium (10E,12E)-octadeca-10,12-dienoate (CID 101366415) is potassium (10E,12E)-octadeca-10,12-dienoate.
What is the SMILES notation for potassium (10E,12E)-octadeca-10,12-dienoate?
The canonical SMILES for potassium (10E,12E)-octadeca-10,12-dienoate is CCCCC/C=C/C=C/CCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium (10E,12E)-octadeca-10,12-dienoate?
The InChIKey is SLFOLIUKJJDAPO-QQPZBMOZSA-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;/h6-9H,2-5,10-17H2,1H3,(H,19,20);/q;+1/p-1/b7-6+,9-8+;.
What are the key properties of potassium (10E,12E)-octadeca-10,12-dienoate?
potassium (10E,12E)-octadeca-10,12-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 (10E,12E)-octadeca-10,12-dienoate is sourced from PubChem (CID 101366415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).