Back to Search
Molecule
Cyclohexyldiphenylphosphine
CAS: 6372-42-5 · C18H21P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6372-42-5
- Molecular Formula
- C18H21P
- Molecular Mass
- 268.34 g/mol
Identifiers
CAS Registry Number
6372-42-5
SMILES
c1ccc(P(c2ccccc2)C2CCCCC2)cc1
InChI Key
ZXKWUYWWVSKKQZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
Names and Synonyms
- Cyclohexyldiphenylphosphine Common Name
- Phosphine, cyclohexyldiphenyl- Synonym
- Cyclohexyldiphenylphosphine Synonym
- Diphenylcyclohexylphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.34 g/mol | CAS Common Chemistry |
| 268.3399999999999 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)P(C=2C=CC=CC2)C3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H21P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXKWUYWWVSKKQZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C | CAS Common Chemistry |
| Name | Cyclohexyldiphenylphosphine | 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 | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.4520000000000035 | RDKit |
| 4.452 | RDKit | |
| 4.8 | chempirical lib | |
| Molar Refractivity | 85.94500000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 268.13808730200003 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
Convert
Quick conversion
MW = 268.34 g/mol. Edit any field — others recompute live.
