potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride

C18H34ClKO3 — CID 140621012

IUPACpotassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].Cl.[K+]
InChIInChI=1S/C18H34O3.ClH.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);1H;/q;;+1/p-1/b12-9-;;/t17-;;/m1../s1
InChIKeyCQWBPJBMODUWTO-GKKIQAINSA-M
MW373.02 g/mol
LogP1.17
Rot. Bonds15

About potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride

potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride (PubChem CID 140621012) has the molecular formula C18H34ClKO3 and a molecular weight of 373.02 g/mol. Its IUPAC name is potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride.

Molecular Properties

Compound Namepotassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride
PubChem CID140621012
Molecular FormulaC18H34ClKO3
Molecular Weight373.02 g/mol
Exact Mass372.18
IUPAC Namepotassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride
SMILESCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].Cl.[K+]
InChIInChI=1S/C18H34O3.ClH.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);1H;/q;;+1/p-1/b12-9-;;/t17-;;/m1../s1
InChIKeyCQWBPJBMODUWTO-GKKIQAINSA-M
XLogP1.17
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.02
LogP ≤ 51.17
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
sodium (Z,12R)-12-hydroxyoctadec-9-enoate
CID 23687338
strontium bis((Z,12R)-12-hydroxyoctadec-9-enoate)
CID 139794810
aluminum;tris((Z,12R)-12-hydroxyoctadec-9-enoate);zinc
CID 173148136
copper;sodium;(Z,12R)-12-hydroxyoctadec-9-enoate;bis(octadecanoate);octadecanoic acid
CID 173324209
(7R,9Z,26Z,29R)-7,29-dihydroxypentatriaconta-9,26-dien-18-one
CID 166138272
potassium (Z)-4-hydroxyoctadec-9-enoate
CID 101326215
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
12-hydroxyhenicos-14-enoic acid
CID 169277303
12-hydroxyicos-14-enoic acid
CID 169277255
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
(E,10S)-henicos-7-en-10-ol
CID 14607531

Frequently Asked Questions

What is the IUPAC name of potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride?
The IUPAC name of potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride (CID 140621012) is potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride.
What is the SMILES notation for potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride?
The canonical SMILES for potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride is CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-].Cl.[K+].
What is the InChIKey of potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride?
The InChIKey is CQWBPJBMODUWTO-GKKIQAINSA-M. The full InChI is InChI=1S/C18H34O3.ClH.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);1H;/q;;+1/p-1/b12-9-;;/t17-;;/m1../s1.
What are the key properties of potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride?
potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride has a molecular weight of 373.02 g/mol, XLogP of 1.17, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride is sourced from PubChem (CID 140621012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).