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10-Undecenal
CAS: 112-45-8 | C11H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-45-8
Molecular Formula:
C11H20O
Molecular Mass:
168.28 g/mol
Names and Synonyms:
10-Undecenal
10-Undecenal
10-Hendecenal
Undecylenic aldehyde
Undecylene aldehyde
10-Undecen-1-al
ω-Undecenyl aldehyde
NSC 44900
Intreleven aldehyde
10-Undecylenic aldehyde
10-Undecenyl aldehyde
Aldehyde C 111LEN
Undec-10-enal
Identifiers:
SMILES:
C=CCCCCCCCCC=O
InChI:
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
Key Properties
Boiling Point
130-140 °C @ Press: 30 Torr
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 | 168.28 g/mol | CAS Common Chemistry |
| 168.15141526 g/mol | RDKit | |
| Boiling Point | 130-140 °C @ Press: 30 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CCCCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OFHHDSQXFXLTKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 10-Undecenal | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.4921000000000024 | RDKit |
| Molar Refractivity | 53.197000000000045 | RDKit |
