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3-(2-Dodecen-1-Yl)Dihydro-2,5-Furandione
CAS: 19780-11-1 | C16H26O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19780-11-1
Molecular Formula:
C16H26O3
Molecular Mass:
266.38 g/mol
Names and Synonyms:
3-(2-Dodecen-1-Yl)Dihydro-2,5-Furandione
2,5-Furandione, 3-(2-dodecen-1-yl)dihydro-
Succinic anhydride, (2-dodecenyl)-
2,5-Furandione, 3-(2-dodecenyl)dihydro-
3-(2-Dodecen-1-yl)dihydro-2,5-furandione
(2-Dodecen-1-yl)succinic anhydride
Identifiers:
SMILES:
CCCCCCCCCC=CCC1CC(=O)OC1=O
InChI:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3
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 | 266.38 g/mol | CAS Common Chemistry |
| 266.381 g/mol | RDKit | |
| 266.188194692 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C(CC=CCCCCCCCCC)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UYCICMIUKYEYEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(2-Dodecen-1-yl)dihydro-2,5-furandione | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 4.163100000000004 | RDKit |
| Molar Refractivity | 75.57300000000005 | RDKit |
