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Molecule
Tricyclopentylphosphine
CAS: 7650-88-6 · C15H27P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7650-88-6
- Molecular Formula
- C15H27P
- Molecular Mass
- 238.36 g/mol
Identifiers
CAS Registry Number
7650-88-6
SMILES
C1CCC(P(C2CCCC2)C2CCCC2)C1
InChI Key
DHWBYAACHDUFAT-UHFFFAOYSA-N
InChI
InChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2
Names and Synonyms
- Tricyclopentylphosphine Synonym
- Phosphine, tricyclopentyl- Synonym
- Tricyclopentylphosphine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.36 g/mol | CAS Common Chemistry |
| 238.3549999999999 g/mol | RDKit | |
| 238.355 g/mol | RDKit | |
| Canonical SMILES | P(C1CCCC1)(C2CCCC2)C3CCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H27P/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DHWBYAACHDUFAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tricyclopentylphosphine | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 5.296100000000005 | RDKit |
| 5.2961 | RDKit | |
| 5.78 | chempirical lib | |
| Molar Refractivity | 73.68800000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 238.185037494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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 = 238.36 g/mol. Edit any field — others recompute live.
