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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 Weight:
152.23699999999997 g/mol
Names and Synonyms:
(E,E)-2,4-Decadienal
(2E,4E)-Deca-2,4-dienal
(2E,4E)-Decadienal
2-trans,4-trans-Decadienal
(E,E)-2,4-Decadien-1-al
(E,E)-2,4-Decadienal
trans,trans-2,4-Decadien-1-al
trans-2,trans-4-Decadienal
trans,trans-2,4-Decadienal
(2E,4E)-2,4-Decadienal
2,4-Decadienal, (E,E)-
2,4-Decadienal, (2E,4E)-
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 152.24 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/(E,E)-2,4-Decadienal | Legacy Database | |
| cas-canonical-smile | O=CC=CC=CCCCCC | Legacy Database | |
| cas-inchi | InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+ | Legacy Database | |
| cas-inchi-key | InChIKey=JZQKTMZYLHNFPL-BLHCBFLLSA-N | Legacy Database | |
| cas-name | (E,E)-2,4-Decadienal | Legacy Database | |
| wikipedia-name | (E,E)-2,4-Decadienal | Legacy Database | |
| LogP | 2.878000000000001 | RDKit | |
| Molecular | Molecular Weight | 152.23699999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.120115132 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 6 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 17.07 Ų | RDKit |
| Molar | Molar Refractivity | 48.486000000000026 | RDKit |
