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Molecule
Sodium Cyclopentadienide
CAS: 4984-82-1 · C5H5Na
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4984-82-1
- Molecular Formula
- C5H5Na
- Molecular Mass
- 88.09 g/mol
Identifiers
CAS Registry Number
4984-82-1
SMILES
[CH]1C=CC=C1.[Na]
InChI Key
PDTZVKVFAJGNRV-UHFFFAOYSA-N
InChI
InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H;
Names and Synonyms
- Sodium Cyclopentadienide Common Name
- Sodium, 2,4-cyclopentadien-1-yl- Synonym
- Sodium, cyclopentadienyl- Synonym
- 2,4-Cyclopentadien-1-yl sodium Synonym
- Sodium cyclopentadienide Synonym
- Sodium cyclopentadienylide Synonym
- Cyclopentadienylsodium Synonym
- 1,3-Cyclopentadiene, sodium salt (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.09 g/mol | CAS Common Chemistry |
| 88.085 g/mol | RDKit | |
| 89.093 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sodium_cyclopentadienide | CAS Common Chemistry |
| Canonical SMILES | [Na]C1C=CC=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H5.Na/c1-2-4-5-3-1;/h1-5H; | CAS Common Chemistry |
| InChI Key | InChIKey=PDTZVKVFAJGNRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172 °C | CAS Common Chemistry |
| Name | Sodium, 2,4-cyclopentadien-1-yl- | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.93589 | RDKit |
| 0.9359 | RDKit | |
| Molar Refractivity | 28.333999999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 88.02889444 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 = 88.09 g/mol. Edit any field — others recompute live.
