Back to Search
Molecule
10-Undecenal
CAS: 112-45-8 · C11H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-45-8
- Molecular Formula
- C11H20O
- Molecular Mass
- 168.28 g/mol
Identifiers
CAS Registry Number
112-45-8
SMILES
C=CCCCCCCCCC=O
InChI Key
OFHHDSQXFXLTKC-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
Names and Synonyms
- 10-Undecenal Systematic Name
- 10-Undecenal Synonym
- 10-Hendecenal Synonym
- Undecylenic aldehyde Synonym
- Undecylene aldehyde Synonym
- 10-Undecen-1-al Synonym
- ω-Undecenyl aldehyde Synonym
- NSC 44900 Synonym
- Intreleven aldehyde Synonym
- 10-Undecylenic aldehyde Synonym
- 10-Undecenyl aldehyde Synonym
- Aldehyde C 111LEN Synonym
- Undec-10-enal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.28 g/mol | CAS Common Chemistry |
| Canonical SMILES | O=CCCCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OFHHDSQXFXLTKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 10-Undecenal | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.4921000000000024 | RDKit |
| 3.4921 | RDKit | |
| 3.59 | chempirical lib | |
| Molar Refractivity | 53.197000000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 168.15141526 g/mol | RDKit |
| Boiling Point | 130-140 °C @ 30 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
Convert
Quick conversion
MW = 168.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H20O.
