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Molecule
(Z)-11-Hexadecenal
CAS: 53939-28-9 · C16H30O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 53939-28-9
- Molecular Formula
- C16H30O
- Molecular Mass
- 238.41 g/mol
Identifiers
CAS Registry Number
53939-28-9
SMILES
CCCC/C=CCCCCCCCCCC=O
InChI Key
AMTITFMUKRZZEE-WAYWQWQTSA-N
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
Names and Synonyms
- (Z)-11-Hexadecenal Synonym
- 11-Hexadecenal, (11Z)- Synonym
- 11-Hexadecenal, (Z)- Synonym
- (11Z)-11-Hexadecenal Synonym
- cis-11-Hexadecenal Synonym
- (Z)-11-Hexadecenal Synonym
- (Z)-11-Hexadecenyl aldehyde Synonym
- cis-11-Hexadecen-1-al Synonym
- (Z)-11-Hexadecen-1-al Synonym
- 11(Z)-Hexadecenal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 238.41 g/mol | CAS Common Chemistry |
| 238.4149999999999 g/mol | RDKit | |
| 238.415 g/mol | RDKit | |
| Canonical SMILES | O=CCCCCCCCCCC=CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5- | CAS Common Chemistry |
| InChI Key | InChIKey=AMTITFMUKRZZEE-WAYWQWQTSA-N | CAS Common Chemistry |
| Name | (Z)-11-Hexadecenal | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 5.442600000000005 | RDKit |
| 5.4426 | RDKit | |
| 5.54 | chempirical lib | |
| Molar Refractivity | 76.28200000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8125 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 238.22966558 g/mol | RDKit |
| Boiling Point | 130-135 °C @ 0.2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 238.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H30O.
