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Dodecylsuccinic Anhydride
CAS: 2561-85-5 | C16H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2561-85-5
Molecular Formula:
C16H28O3
Molecular Mass:
268.40 g/mol
Names and Synonyms:
Dodecylsuccinic Anhydride
2,5-Furandione, 3-dodecyldihydro-
Succinic anhydride, dodecyl-
3-Dodecyldihydro-2,5-furandione
Dodecylsuccinic anhydride
1,2-Tetradecanedicarboxylic anhydride
n-Dodecylsuccinic anhydride
Dodecylsuccinic acid anhydride
NSC 77128
3-Dodecyloxolane-2,5-dione
Identifiers:
SMILES:
CCCCCCCCCCCCC1CC(=O)OC1=O
InChI:
InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3
Key Properties
Melting Point
72-74 °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 | 268.40 g/mol | CAS Common Chemistry |
| 268.39699999999993 g/mol | RDKit | |
| 268.203844756 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C(C1)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YAXXOCZAXKLLCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72-74 °C | CAS Common Chemistry |
| Name | Dodecylsuccinic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 4.387100000000004 | RDKit |
| Molar Refractivity | 75.66700000000006 | RDKit |
