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Molecule
Ethylidene Norbornene
CAS: 16219-75-3 · C9H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16219-75-3
- Molecular Formula
- C9H12
- Molecular Mass
- 120.20 g/mol
Identifiers
CAS Registry Number
16219-75-3
SMILES
CC=C1CC2C=CC1C2
InChI Key
OJOWICOBYCXEKR-UHFFFAOYSA-N
InChI
InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3
Names and Synonyms
- Ethylidene Norbornene Synonym
- Bicyclo[2.2.1]hept-2-ene, 5-ethylidene- Synonym
- 2-Norbornene, 5-ethylidene- Synonym
- 5-Ethylidenebicyclo[2.2.1]hept-2-ene Synonym
- Ethylidenenorbornene Synonym
- 5-Ethylidenenorbornene Synonym
- Ethylidene-2-norbornene Synonym
- 2-Ethylidene-5-norbornene Synonym
- 2-Ethylidenebicyclo[2.2.1]hept-5-ene Synonym
- 5-Ethylidene-2-norbornene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.20 g/mol | CAS Common Chemistry |
| 120.19499999999996 g/mol | RDKit | |
| 120.195 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8958 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethylidene_norbornene | CAS Common Chemistry |
| Canonical SMILES | C1=CC2CC(=CC)C1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OJOWICOBYCXEKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -80 °C | CAS Common Chemistry |
| Name | Ethylidenenorbornene | CAS Common Chemistry |
| Ethylidene norbornene | CAS Common Chemistry | |
| Heavy Atom Count | 9 | 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 | 2.5287000000000006 | RDKit |
| 2.5287 | RDKit | |
| 2.55 | chempirical lib | |
| Molar Refractivity | 39.111000000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5556 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 120.093900384 g/mol | RDKit |
| Boiling Point | 67 °C @ 50 Torr | CAS Common Chemistry |
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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Quick conversion
MW = 120.20 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H12.
