potassium heptadecanoate

C17H33KO2 — CID 23668524

IUPACpotassium heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C17H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyPLNPAJUNRPFSDU-UHFFFAOYSA-M
MW308.55 g/mol
LogP1.61
Rot. Bonds15

About potassium heptadecanoate

potassium heptadecanoate (PubChem CID 23668524) has the molecular formula C17H33KO2 and a molecular weight of 308.55 g/mol. Its IUPAC name is potassium heptadecanoate.

Molecular Properties

Compound Namepotassium heptadecanoate
PubChem CID23668524
Molecular FormulaC17H33KO2
Molecular Weight308.55 g/mol
Exact Mass308.21
IUPAC Namepotassium heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)[O-].[K+]
InChIInChI=1S/C17H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyPLNPAJUNRPFSDU-UHFFFAOYSA-M
XLogP1.61
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium pentadecanoate
CID 23696764
octapotassium;octakis(decanoate)
CID 23617120
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
docosanoate;platinum(4+)
CID 173129133
barium(2+);bis(icosanoate)
CID 6451429

Frequently Asked Questions

What is the IUPAC name of potassium heptadecanoate?
The IUPAC name of potassium heptadecanoate (CID 23668524) is potassium heptadecanoate.
What is the SMILES notation for potassium heptadecanoate?
The canonical SMILES for potassium heptadecanoate is CCCCCCCCCCCCCCCCC(=O)[O-].[K+].
What is the InChIKey of potassium heptadecanoate?
The InChIKey is PLNPAJUNRPFSDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium heptadecanoate?
potassium heptadecanoate has a molecular weight of 308.55 g/mol, XLogP of 1.61, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium heptadecanoate is sourced from PubChem (CID 23668524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).