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Molecule
(E)-2-Decenal
CAS: 3913-81-3 · C10H18O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3913-81-3
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
3913-81-3
SMILES
CCCCCCC/C=C/C=O
InChI Key
MMFCJPPRCYDLLZ-CMDGGOBGSA-N
InChI
InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+
Names and Synonyms
- (E)-2-Decenal Synonym
- 2-Decenal, (2E)- Synonym
- 2-Decenal, (E)- Synonym
- (2E)-2-Decenal Synonym
- trans-2-Decenal Synonym
- 2(E)-Decenal Synonym
- trans-2-Decen-1-al Synonym
- (E)-2-Decenal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| 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 |
| 3.102 | RDKit | |
| 3.2 | chempirical lib | |
| Molar Refractivity | 48.58000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
| Boiling Point | 117-119 °C @ 22 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 154.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
