Potassium palmitate (U-13C16, 98%+)

C16H32KO2 — CID 171042869

IUPAC—
SMILES[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O.[K]
InChIInChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1;
InChIKeyNHOGTCIENBDOGA-SJIUKAAASA-N
MW311.41 g/mol
LogP5.17
Rot. Bonds14

About Potassium palmitate (U-13C16, 98%+)

Potassium palmitate (U-13C16, 98%+) (PubChem CID 171042869) has the molecular formula C16H32KO2 and a molecular weight of 311.41 g/mol.

Molecular Properties

Compound NamePotassium palmitate (U-13C16, 98%+)
PubChem CID171042869
Molecular FormulaC16H32KO2
Molecular Weight311.41 g/mol
Exact Mass311.26
IUPAC Name—
SMILES[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O.[K]
InChIInChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1;
InChIKeyNHOGTCIENBDOGA-SJIUKAAASA-N
XLogP5.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 131849704
CID 131849704
CID 87059166
CID 87059166
CID 87091593
CID 87091593
CID 158956860
CID 158956860
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
dodecanoic acid
CID 158187269
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of Potassium palmitate (U-13C16, 98%+)?
The IUPAC name of Potassium palmitate (U-13C16, 98%+) (CID 171042869) is not available.
What is the SMILES notation for Potassium palmitate (U-13C16, 98%+)?
The canonical SMILES for Potassium palmitate (U-13C16, 98%+) is [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O.[K].
What is the InChIKey of Potassium palmitate (U-13C16, 98%+)?
The InChIKey is NHOGTCIENBDOGA-SJIUKAAASA-N. The full InChI is InChI=1S/C16H32O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1;.
What are the key properties of Potassium palmitate (U-13C16, 98%+)?
Potassium palmitate (U-13C16, 98%+) has a molecular weight of 311.41 g/mol, XLogP of 5.17, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium palmitate (U-13C16, 98%+) is sourced from PubChem (CID 171042869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).