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Molecule
(E,E)-2,4-Decadienal
CAS: 25152-84-5 · C10H16O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25152-84-5
- Molecular Formula
- C10H16O
- Molecular Mass
- 152.24 g/mol
Identifiers
CAS Registry Number
25152-84-5
SMILES
CCCCC/C=C/C=C/C=O
InChI Key
JZQKTMZYLHNFPL-BLHCBFLLSA-N
InChI
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
Names and Synonyms
- (E,E)-2,4-Decadienal Systematic Name
- 2,4-Decadienal, (2E,4E)- Synonym
- 2,4-Decadienal, (E,E)- Synonym
- (2E,4E)-2,4-Decadienal Synonym
- trans,trans-2,4-Decadienal Synonym
- trans-2,trans-4-Decadienal Synonym
- trans,trans-2,4-Decadien-1-al Synonym
- (E,E)-2,4-Decadienal Synonym
- (E,E)-2,4-Decadien-1-al Synonym
- 2-trans,4-trans-Decadienal Synonym
- (2E,4E)-Decadienal Synonym
- (2E,4E)-Deca-2,4-dienal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.24 g/mol | CAS Common Chemistry |
| 152.23699999999997 g/mol | RDKit | |
| 152.237 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 |
| 2.878 | RDKit | |
| 2.84 | chempirical lib | |
| Molar Refractivity | 48.486000000000026 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 152.120115132 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 152.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O.
