potassium 15-hydroxyoctadecanoate

C18H35KO3 — CID 101326197

IUPACpotassium 15-hydroxyoctadecanoate
SMILESCCCC(O)CCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H36O3.K/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyAOLONVJYNDNHMZ-UHFFFAOYSA-M
MW338.57 g/mol
LogP0.97
Rot. Bonds16

About potassium 15-hydroxyoctadecanoate

potassium 15-hydroxyoctadecanoate (PubChem CID 101326197) has the molecular formula C18H35KO3 and a molecular weight of 338.57 g/mol. Its IUPAC name is potassium 15-hydroxyoctadecanoate.

Molecular Properties

Compound Namepotassium 15-hydroxyoctadecanoate
PubChem CID101326197
Molecular FormulaC18H35KO3
Molecular Weight338.57 g/mol
Exact Mass338.22
IUPAC Namepotassium 15-hydroxyoctadecanoate
SMILESCCCC(O)CCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C18H36O3.K/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyAOLONVJYNDNHMZ-UHFFFAOYSA-M
XLogP0.97
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium 15-hydroxyoctadecanoate
CID 101326210
8-hydroxydodecanoate
CID 155802527
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
aluminum 12-hydroxyoctadecanoate
CID 21119248
potassium 5-hydroxyhexadecanoate
CID 171774657
CID 71432168
CID 71432168
5-hydroxyoctadecanoate
CID 126456525
24-hydroxyheptacosanoic acid
CID 169277120
16,19-dihydroxydocosanoic acid
CID 169277473
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
3-hydroxydecanedioate
CID 20848938
potassium 5-hydroxyheptanoate
CID 23698795

Frequently Asked Questions

What is the IUPAC name of potassium 15-hydroxyoctadecanoate?
The IUPAC name of potassium 15-hydroxyoctadecanoate (CID 101326197) is potassium 15-hydroxyoctadecanoate.
What is the SMILES notation for potassium 15-hydroxyoctadecanoate?
The canonical SMILES for potassium 15-hydroxyoctadecanoate is CCCC(O)CCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium 15-hydroxyoctadecanoate?
The InChIKey is AOLONVJYNDNHMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H36O3.K/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 15-hydroxyoctadecanoate?
potassium 15-hydroxyoctadecanoate has a molecular weight of 338.57 g/mol, XLogP of 0.97, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 15-hydroxyoctadecanoate is sourced from PubChem (CID 101326197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).