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Tetrabutylphosphonium Hydroxide
CAS: 14518-69-5 | C16H37OP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14518-69-5
Molecular Formula:
C16H37OP
Molecular Mass:
276.44 g/mol
Names and Synonyms:
Tetrabutylphosphonium Hydroxide
Phosphonium, tetrabutyl-, hydroxide (1:1)
Phosphonium, tetrabutyl-, hydroxide
Tetrabutylphosphonium hydroxide
Tetra-n-butylphosphonium hydroxide
Identifiers:
SMILES:
CCCC[P+](CCCC)(CCCC)CCCC.[OH-]
InChI:
InChI=1S/C16H36P.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
Key Properties
Density
0.99 g/cm³
CAS Common Chemistry
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 | 276.44 g/mol | CAS Common Chemistry |
| 276.44499999999994 g/mol | RDKit | |
| 276.258202434 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.989 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [OH-].CCCC[P+](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H36P.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=DFQPZDGUFQJANM-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Tetrabutylphosphonium hydroxide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 30.0 Ų | RDKit |
| LogP | 6.027600000000006 | RDKit |
| Molar Refractivity | 87.95580000000007 | RDKit |
