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(E)-2-Decenal
CAS: 3913-81-3 | C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3913-81-3
Molecular Formula:
C10H18O
Molecular Mass:
154.25 g/mol
Names and Synonyms:
(E)-2-Decenal
2-Decenal, (2E)-
2-Decenal, (E)-
(2E)-2-Decenal
trans-2-Decenal
2(E)-Decenal
trans-2-Decen-1-al
(E)-2-Decenal
Identifiers:
SMILES:
CCCCCCC/C=C/C=O
InChI:
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+
Key Properties
Boiling Point
117-119 °C @ Press: 22 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 | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| 154.135765196 g/mol | RDKit | |
| Boiling Point | 117-119 °C @ Press: 22 Torr | CAS Common Chemistry |
| Canonical SMILES | O=CC=CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+ | CAS Common Chemistry |
| InChI Key | InChIKey=MMFCJPPRCYDLLZ-CMDGGOBGSA-N | CAS Common Chemistry |
| Name | (E)-2-Decenal | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.102000000000002 | RDKit |
| Molar Refractivity | 48.58000000000003 | RDKit |
