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(E,E)-2,4-Decadienal
CAS: 25152-84-5 | C10H16O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25152-84-5
Molecular Formula:
C10H16O
Molecular Mass:
152.24 g/mol
Names and Synonyms:
(E,E)-2,4-Decadienal
2,4-Decadienal, (2E,4E)-
2,4-Decadienal, (E,E)-
(2E,4E)-2,4-Decadienal
trans,trans-2,4-Decadienal
trans-2,trans-4-Decadienal
trans,trans-2,4-Decadien-1-al
(E,E)-2,4-Decadienal
(E,E)-2,4-Decadien-1-al
2-trans,4-trans-Decadienal
(2E,4E)-Decadienal
(2E,4E)-Deca-2,4-dienal
Identifiers:
SMILES:
CCCCC/C=C/C=C/C=O
InChI:
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
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 | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999997 g/mol | RDKit | |
| 152.120115132 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(E,E)-2,4-Decadienal | CAS Common Chemistry |
| Canonical SMILES | O=CC=CC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+ | CAS Common Chemistry |
| InChI Key | InChIKey=JZQKTMZYLHNFPL-BLHCBFLLSA-N | CAS Common Chemistry |
| Name | (E,E)-2,4-Decadienal | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 2.878000000000001 | RDKit |
| Molar Refractivity | 48.486000000000026 | RDKit |
