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Potassium Octanoate
CAS: 764-71-6 | C8H16KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
764-71-6
Molecular Formula:
C8H16KO2
Molecular Mass:
183.31 g/mol
Names and Synonyms:
Potassium Octanoate
Octanoic acid, potassium salt (1:1)
Octanoic acid, potassium salt
Potassium caprylate
Potassium octanoate
Potassium octoate
Potassium n-octanoate
EC 686
Caprylic acid potassium salt
K 977
Potassium octylate
Minico K 45
K 13
K 65
K 65 (salt)
Pelron 9540A
Kosmos 75DEG
Kosmos 75MEG
K-Zero G
Identifiers:
SMILES:
CCCCCCCC(=O)O.[K]
InChI:
InChI=1S/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.31 g/mol | CAS Common Chemistry |
| 183.312 g/mol | RDKit | |
| 183.078736432 g/mol | RDKit | |
| Canonical SMILES | [K].O=C(O)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.K/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=NEDCBCQYSIPIMC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium octanoate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.0507 | RDKit |
| Molar Refractivity | 46.76580000000002 | RDKit |
