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Molecule
Tricyclohexylphosphine
CAS: 2622-14-2 · C18H33P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2622-14-2
- Molecular Formula
- C18H33P
- Molecular Mass
- 280.44 g/mol
Identifiers
CAS Registry Number
2622-14-2
SMILES
C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
InChI Key
WLPUWLXVBWGYMZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
Names and Synonyms
- Tricyclohexylphosphine Synonym
- Phosphine, tricyclohexyl- Synonym
- Tricyclohexylphosphine Synonym
- Tris(cyclohexyl)phosphine Synonym
- NSC 158657 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.44 g/mol | CAS Common Chemistry |
| 280.436 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tricyclohexylphosphine | CAS Common Chemistry |
| Canonical SMILES | P(C1CCCCC1)(C2CCCCC2)C3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WLPUWLXVBWGYMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76-78 °C @ Solvent: Acetone | CAS Common Chemistry |
| Name | Tricyclohexylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.466400000000006 | RDKit |
| 6.4664 | RDKit | |
| 6.95 | chempirical lib | |
| Molar Refractivity | 87.53900000000007 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 280.231987686 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 280.44 g/mol. Edit any field — others recompute live.
