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Dicyclopentadiene Dioxide
CAS: 81-21-0 | C10H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81-21-0
Molecular Formula:
C10H12O2
Molecular Mass:
164.20 g/mol
Names and Synonyms:
Dicyclopentadiene Dioxide
2,4-Methano-2H-indeno[1,2-b:5,6-b′]bisoxirene, octahydro-
4,7-Methanoindan, 1,2:5,6-diepoxyhexahydro-
Octahydro-2,4-methano-2H-indeno[1,2-b:5,6-b′]bisoxirene
Bicyclopentadiene dioxide
Dicyclopentadiene diepoxide
Dicyclopentadiene dioxide
1,2:5,6-Diepoxyhexahydro-4,7-methanoindan
NSC 24262
NSC 30544
NSC 34460
NSC 54738
NSC 56357
DCPDDO
1,2:5,6-Diepoxydicyclopentadiene
TTA 27
Dicyclopentandiene diepoxide
Identifiers:
SMILES:
C1C2OC2C2C1C1CC2C2OC12
InChI:
InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
Key Properties
Melting Point
180-184 °C
CAS Common Chemistry
Density
1.33 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 | 164.20 g/mol | CAS Common Chemistry |
| 164.20399999999998 g/mol | RDKit | |
| 164.083729624 g/mol | RDKit | |
| Density | 1.33 g/cm³ | CAS Common Chemistry |
| 1.331 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O1C2CC3C4CC(C5OC54)C3C12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BQQUFAMSJAKLNB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180-184 °C | CAS Common Chemistry |
| Name | Dicyclopentadiene dioxide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 25.06 Ų | RDKit |
| LogP | 0.8069999999999999 | RDKit |
| Molar Refractivity | 40.51600000000001 | RDKit |
