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Exo-Tetrahydrodicyclopentadiene
CAS: 2825-82-3 | C10H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2825-82-3
Molecular Formula:
C10H16
Molecular Mass:
136.24 g/mol
Names and Synonyms:
Exo-Tetrahydrodicyclopentadiene
4,7-Methano-1H-indene, octahydro-, (3aR,4S,7R,7aS)-rel-
4,7-Methanoindan, hexahydro-, exo-
4,7-Methano-1H-indene, octahydro-, (3aα,4β,7β,7aα)-
rel-(3aR,4S,7R,7aS)-Octahydro-4,7-methano-1H-indene
exo-3,4,8,9-Tetrahydrodicyclopentadiene
exo-Tricyclo[5.2.1.02,6]decane
exo-Tetrahydrodicyclopentadiene
exo-Tetrahydrobicyclopentadiene
exo-5,6-Trimethylenenorbornane
exo-Trimethylenenorbornane
exo-Octahydro-4,7-methano-1H-indene
JP 10
Identifiers:
SMILES:
C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1
InChI:
InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10-
Key Properties
Boiling Point
185 °C
CAS Common Chemistry
Density
0.93 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.24 g/mol | CAS Common Chemistry |
| 136.238 g/mol | RDKit | |
| 136.125200512 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9314 g/cm3 @ Temp: 25.00 °C | CAS Common Chemistry | |
| Boiling Point | 185 °C | CAS Common Chemistry |
| Canonical SMILES | C1CC2C3CCC(C3)C2C1 | CAS Common Chemistry |
| InChI | InChI=1/C10H16/c1-2-9-7-4-5-8(6-7)10(9)3-1/h7-10H,1-6H2/t7-,8+,9+,10- | CAS Common Chemistry |
| InChI Key | InChIKey=LPSXSORODABQKT-FIRGSJFUNA-N | CAS Common Chemistry |
| Name | exo-Tetrahydrodicyclopentadiene | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.832600000000001 | RDKit |
| Molar Refractivity | 41.66200000000001 | RDKit |
