potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate

C18H33KO3 — CID 101326142

IUPACpotassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate
SMILESCCCCCCCC/C([O-])=C\CCCCCCCC(=O)O.[K+]
InChIInChI=1S/C18H34O3.K/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21;/h15,19H,2-14,16H2,1H3,(H,20,21);/q;+1/p-1/b17-15+;
InChIKeyOPVBWQZDCLQVHW-INTLEYBYSA-M
MW336.56 g/mol
LogP1.80
Rot. Bonds15

About potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate

potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate (PubChem CID 101326142) has the molecular formula C18H33KO3 and a molecular weight of 336.56 g/mol. Its IUPAC name is potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate.

Molecular Properties

Compound Namepotassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate
PubChem CID101326142
Molecular FormulaC18H33KO3
Molecular Weight336.56 g/mol
Exact Mass336.21
IUPAC Namepotassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate
SMILESCCCCCCCC/C([O-])=C\CCCCCCCC(=O)O.[K+]
InChIInChI=1S/C18H34O3.K/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21;/h15,19H,2-14,16H2,1H3,(H,20,21);/q;+1/p-1/b17-15+;
InChIKeyOPVBWQZDCLQVHW-INTLEYBYSA-M
XLogP1.80
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dipotassium;(Z)-octadec-9-enoic acid;oxalate
CID 173439373
potassium;hydride;(Z)-tetracos-15-enoic acid
CID 174974374
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319
octadecanoic acid;bis((Z)-octadec-9-enoic acid)
CID 88752533
triacont-6-enoic acid
CID 169276816
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

Frequently Asked Questions

What is the IUPAC name of potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate?
The IUPAC name of potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate (CID 101326142) is potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate.
What is the SMILES notation for potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate?
The canonical SMILES for potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate is CCCCCCCC/C([O-])=C\CCCCCCCC(=O)O.[K+].
What is the InChIKey of potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate?
The InChIKey is OPVBWQZDCLQVHW-INTLEYBYSA-M. The full InChI is InChI=1S/C18H34O3.K/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21;/h15,19H,2-14,16H2,1H3,(H,20,21);/q;+1/p-1/b17-15+;.
What are the key properties of potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate?
potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate has a molecular weight of 336.56 g/mol, XLogP of 1.80, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate is sourced from PubChem (CID 101326142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).