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3,9-Divinyl-2,4,8,10-Tetraoxaspiro(5.5)Undecane
CAS: 78-19-3 | C11H16O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-19-3
Molecular Formula:
C11H16O4
Molecular Mass:
212.25 g/mol
Names and Synonyms:
3,9-Divinyl-2,4,8,10-Tetraoxaspiro(5.5)Undecane
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-diethenyl-
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-divinyl-
3,9-Diethenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
Acrolein, cyclic diacetal with pentaerythritol
Acrolein, cyclic neopentanetetrayl acetal
3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane
Diallylidene pentaerythritol
Pentaerythritol diacrolein acetal
NSC 7585
3,9-Bis(ethenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
Identifiers:
SMILES:
C=CC1OCC2(CO1)COC(C=C)OC2
InChI:
InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2
Key Properties
Boiling Point
93-94 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
4.2 °C
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 | 212.25 g/mol | CAS Common Chemistry |
| 212.24499999999998 g/mol | RDKit | |
| 212.104858992 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3,9-Divinyl-2,4,8,10-tetraoxaspiro(5.5)undecane | CAS Common Chemistry |
| Boiling Point | 93-94 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CC2(COC1C=C)COC(OC2)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OOXMQACSWCZQLX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 4.2 °C | CAS Common Chemistry |
| Name | 3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane | CAS Common Chemistry |
| 3,9-Divinyl-2,4,8,10-tetraoxaspiro(5.5)undecane | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 1.0906 | RDKit |
| Molar Refractivity | 54.211000000000034 | RDKit |
