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Molecule
Endo-Tetrahydrodicyclopentadiene
CAS: 2825-83-4 · C10H16
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2825-83-4
- Molecular Formula
- C10H16
- Molecular Mass
- 136.24 g/mol
Identifiers
CAS Registry Number
2825-83-4
SMILES
C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1
InChI Key
LPSXSORODABQKT-YNFQOJQRNA-N
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+
Names and Synonyms
- Endo-Tetrahydrodicyclopentadiene Common Name
- 4,7-Methano-1H-indene, octahydro-, (3aR,4R,7S,7aS)-rel- Synonym
- 4,7-Methanoindan, hexahydro-, endo- Synonym
- 4,7-Methano-1H-indene, octahydro-, (3aα,4α,7α,7aα)- Synonym
- rel-(3aR,4R,7S,7aS)-Octahydro-4,7-methano-1H-indene Synonym
- endo-Tetrahydrodicyclopentadiene Synonym
- endo-Tetrahydrobicyclopentadiene Synonym
- endo-Trimethylenenorbornane Synonym
- endo-Tricyclo[5.2.1.02,6]decane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.24 g/mol | CAS Common Chemistry |
| 136.238 g/mol | RDKit | |
| Boiling Point | 188-190 °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-YNFQOJQRNA-N | CAS Common Chemistry |
| Melting Point | 77 °C | CAS Common Chemistry |
| Name | endo-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 |
| 2.8326 | RDKit | |
| Molar Refractivity | 41.66200000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.125200512 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 136.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16.
