potassium (Z)-4-hydroxyoctadec-9-enoate

C18H33KO3 — CID 101326215

IUPACpotassium (Z)-4-hydroxyoctadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCC(O)CCC(=O)[O-].[K+]
InChIInChI=1S/C18H34O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21;/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21);/q;+1/p-1/b10-9-;
InChIKeyUXEYSUMYNGPDRN-KVVVOXFISA-M
MW336.56 g/mol
LogP0.75
Rot. Bonds15

About potassium (Z)-4-hydroxyoctadec-9-enoate

potassium (Z)-4-hydroxyoctadec-9-enoate (PubChem CID 101326215) has the molecular formula C18H33KO3 and a molecular weight of 336.56 g/mol. Its IUPAC name is potassium (Z)-4-hydroxyoctadec-9-enoate.

Molecular Properties

Compound Namepotassium (Z)-4-hydroxyoctadec-9-enoate
PubChem CID101326215
Molecular FormulaC18H33KO3
Molecular Weight336.56 g/mol
Exact Mass336.21
IUPAC Namepotassium (Z)-4-hydroxyoctadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCC(O)CCC(=O)[O-].[K+]
InChIInChI=1S/C18H34O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21;/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21);/q;+1/p-1/b10-9-;
InChIKeyUXEYSUMYNGPDRN-KVVVOXFISA-M
XLogP0.75
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

potassium (12R)-12-hydroxyoctadec-9-enoate
CID 57353383
potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride
CID 140621012
strontium bis((Z,12R)-12-hydroxyoctadec-9-enoate)
CID 139794810
sodium (Z,12R)-12-hydroxyoctadec-9-enoate
CID 23687338
potassium 5-hydroxyhexadecanoate
CID 171774657
octacos-21-en-10-ol
CID 163011476
4-hydroxydocosa-9,13-dienoic acid
CID 139805405
aluminum;tris((Z,12R)-12-hydroxyoctadec-9-enoate);zinc
CID 173148136
potassium (E)-(1,2,3,7,8-13C5)octadec-9-enoate
CID 71309848
5-hydroxyoctadecanoate
CID 126456525
14-hydroxydotriacont-20-enoic acid
CID 168720018
(Z)-8-hydroxytetracos-15-enoic acid
CID 161317669

Frequently Asked Questions

What is the IUPAC name of potassium (Z)-4-hydroxyoctadec-9-enoate?
The IUPAC name of potassium (Z)-4-hydroxyoctadec-9-enoate (CID 101326215) is potassium (Z)-4-hydroxyoctadec-9-enoate.
What is the SMILES notation for potassium (Z)-4-hydroxyoctadec-9-enoate?
The canonical SMILES for potassium (Z)-4-hydroxyoctadec-9-enoate is CCCCCCCC/C=C\CCCCC(O)CCC(=O)[O-].[K+].
What is the InChIKey of potassium (Z)-4-hydroxyoctadec-9-enoate?
The InChIKey is UXEYSUMYNGPDRN-KVVVOXFISA-M. The full InChI is InChI=1S/C18H34O3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21;/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21);/q;+1/p-1/b10-9-;.
What are the key properties of potassium (Z)-4-hydroxyoctadec-9-enoate?
potassium (Z)-4-hydroxyoctadec-9-enoate has a molecular weight of 336.56 g/mol, XLogP of 0.75, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (Z)-4-hydroxyoctadec-9-enoate is sourced from PubChem (CID 101326215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).