potassium 5-hydroxyhexadecanoate

C16H31KO3 — CID 171774657

IUPACpotassium 5-hydroxyhexadecanoate
SMILESCCCCCCCCCCCC(O)CCCC(=O)[O-].[K+]
InChIInChI=1S/C16H32O3.K/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19;/h15,17H,2-14H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyAMAJCLCJUXQPEQ-UHFFFAOYSA-M
MW310.52 g/mol
LogP0.19
Rot. Bonds14

About potassium 5-hydroxyhexadecanoate

potassium 5-hydroxyhexadecanoate (PubChem CID 171774657) has the molecular formula C16H31KO3 and a molecular weight of 310.52 g/mol. Its IUPAC name is potassium 5-hydroxyhexadecanoate.

Molecular Properties

Compound Namepotassium 5-hydroxyhexadecanoate
PubChem CID171774657
Molecular FormulaC16H31KO3
Molecular Weight310.52 g/mol
Exact Mass310.19
IUPAC Namepotassium 5-hydroxyhexadecanoate
SMILESCCCCCCCCCCCC(O)CCCC(=O)[O-].[K+]
InChIInChI=1S/C16H32O3.K/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19;/h15,17H,2-14H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyAMAJCLCJUXQPEQ-UHFFFAOYSA-M
XLogP0.19
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 50.19
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

5-hydroxyoctadecanoate
CID 126456525
sodium (12S)-12-hydroxyoctadecanoate
CID 76956600
aluminum 12-hydroxyoctadecanoate
CID 21119248
CID 71432168
CID 71432168
8-hydroxydodecanoate
CID 155802527
potassium 15-hydroxyoctadecanoate
CID 101326197
sodium 15-hydroxyoctadecanoate
CID 101326210
potassium (Z)-4-hydroxyoctadec-9-enoate
CID 101326215
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
potassium 3-hydroxydodecanoate
CID 171061524
potassium 5-hydroxyheptanoate
CID 23698795
potassium heptadecanoate
CID 23668524

Frequently Asked Questions

What is the IUPAC name of potassium 5-hydroxyhexadecanoate?
The IUPAC name of potassium 5-hydroxyhexadecanoate (CID 171774657) is potassium 5-hydroxyhexadecanoate.
What is the SMILES notation for potassium 5-hydroxyhexadecanoate?
The canonical SMILES for potassium 5-hydroxyhexadecanoate is CCCCCCCCCCCC(O)CCCC(=O)[O-].[K+].
What is the InChIKey of potassium 5-hydroxyhexadecanoate?
The InChIKey is AMAJCLCJUXQPEQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32O3.K/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19;/h15,17H,2-14H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 5-hydroxyhexadecanoate?
potassium 5-hydroxyhexadecanoate has a molecular weight of 310.52 g/mol, XLogP of 0.19, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-hydroxyhexadecanoate is sourced from PubChem (CID 171774657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).