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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 Weight:
154.253 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+
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 | 154.25 g/mol | Legacy Database |
| cas-boiling-point | 117-119 °C @ Press: 22 Torr | Legacy Database | |
| cas-canonical-smile | O=CC=CCCCCCCC | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+ | Legacy Database | |
| cas-inchi-key | InChIKey=MMFCJPPRCYDLLZ-CMDGGOBGSA-N | Legacy Database | |
| cas-name | (E)-2-Decenal | Legacy Database | |
| LogP | 3.102000000000002 | RDKit | |
| Molecular | Molecular Weight | 154.253 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 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 | 7 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 17.07 Ų | RDKit |
| Molar | Molar Refractivity | 48.58000000000003 | RDKit |
