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Molecule
Cyclopentene
CAS: 142-29-0 · C5H8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 142-29-0
- Molecular Formula
- C5H8
- Molecular Mass
- 68.12 g/mol
Identifiers
CAS Registry Number
142-29-0
SMILES
C1=CCCC1
InChI Key
LPIQUOYDBNQMRZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
Names and Synonyms
- Cyclopentene Common Name
- Cyclopentene Synonym
- NSC 5160 Synonym
- 1-Cyclopentene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Cyclopentene | CAS Common Chemistry |
| Molecular Mass | 68.12 g/mol | CAS Common Chemistry |
| 68.119 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7754 g/cm3 @ 14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclopentene | CAS Common Chemistry |
| Boiling Point | 44.2 °C | CAS Common Chemistry |
| Canonical SMILES | C1=CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LPIQUOYDBNQMRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -135.1 °C | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.7265 | RDKit |
| 1.59 | chempirical lib | |
| Molar Refractivity | 22.990999999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 68.062600256 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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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 68.12 g/mol; density = 0.780 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H8.
