Back to Search
(E)-2-Undecenal
CAS: 53448-07-0 | C11H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
53448-07-0
Molecular Formula:
C11H20O
Molecular Mass:
168.28 g/mol
Names and Synonyms:
(E)-2-Undecenal
2-Undecenal, (2E)-
2-Undecenal, (E)-
(2E)-2-Undecenal
trans-2-Undecenal
(E)-2-Undecenal
(2E)-Undecenal
trans-2-Undecen-1-al
(2E)-Undec-2-enal
Identifiers:
SMILES:
CCCCCCCC/C=C/C=O
InChI:
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
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 | |
| Canonical SMILES | O=CC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ | CAS Common Chemistry |
| InChI Key | InChIKey=PANBRUWVURLWGY-MDZDMXLPSA-N | CAS Common Chemistry |
| Name | (E)-2-Undecenal | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.4921000000000024 | RDKit |
| Molar Refractivity | 53.19700000000004 | RDKit |
