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Molecule
Dicyclopentadiene
CAS: 77-73-6 · C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 77-73-6
- Molecular Formula
- C10H12
- Molecular Mass
- 132.21 g/mol
Identifiers
CAS Registry Number
77-73-6
SMILES
C1=CC2C3C=CC(C3)C2C1
InChI Key
HECLRDQVFMWTQS-UHFFFAOYSA-N
InChI
InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
Names and Synonyms
- Dicyclopentadiene Synonym
- 4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro- Synonym
- 4,7-Methanoindene, 3a,4,7,7a-tetrahydro- Synonym
- 3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene Synonym
- Bicyclopentadiene Synonym
- Biscyclopentadiene Synonym
- 3a,4,7,7a-Tetrahydro-4,7-methanoindene Synonym
- Dicyclopentadiene Synonym
- Cyclopentadiene dimer Synonym
- Tricyclo[5.2.1.02,6]deca-3,8-diene Synonym
- NSC 7352 Synonym
- DCPD 103 Synonym
- Tricyclo[4.3.1.02,5]deca-3,7-diene Synonym
- Prometa XP 100 Synonym
- Ultrene Synonym
- Tricyclodecadiene Synonym
- DCPD Synonym
- Ultrene 99 Synonym
- Ultrene DCPD Synonym
- Tricyclo[4.3.0.12,5]deca-3,7-diene Synonym
- 3a,4,7,7a-Tetrahydro-4,7-methanoindene Synonym
- Ultrene 97 Synonym
- Ultrene 99X Synonym
- Ultrene 99-6 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 132.21 g/mol | CAS Common Chemistry |
| 132.20599999999996 g/mol | RDKit | |
| 132.206 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9302 g/cm3 @ 35 °C | CAS Common Chemistry | |
| Canonical SMILES | C1=CC2C3C=CC(C3)C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HECLRDQVFMWTQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 32 °C | CAS Common Chemistry |
| Name | Dicyclopentadiene | 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 | 2.3846000000000007 | RDKit |
| 2.3846 | RDKit | |
| Molar Refractivity | 41.47400000000001 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 132.093900384 g/mol | RDKit |
| Boiling Point | 64-65 °C @ 14 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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MW = 132.21 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12.
