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Molecule
Undecylenic Acid
CAS: 112-38-9 · C11H20O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 112-38-9
- Molecular Formula
- C11H20O2
- Molecular Mass
- 184.28 g/mol
Identifiers
CAS Registry Number
112-38-9
SMILES
C=CCCCCCCCCC(=O)O
InChI Key
FRPZMMHWLSIFAZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
Names and Synonyms
- Undecylenic Acid Common Name
- 10-Undecenoic acid Synonym
- Declid Synonym
- 10-Hendecenoic acid Synonym
- ω-Hendecenoic acid Synonym
- Renselin Synonym
- Sevinon Synonym
- 10-Undecylenic acid Synonym
- Undecylenic acid Synonym
- Desenex solution Synonym
- ω-Undecenoic acid Synonym
- NSC 2013 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.28 g/mol | CAS Common Chemistry |
| 184.279 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Undecylenic_acid | CAS Common Chemistry |
| Boiling Point | 275 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=FRPZMMHWLSIFAZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 24.5 °C | CAS Common Chemistry |
| Name | Undecylenic acid | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.3778000000000015 | RDKit |
| 3.3778 | RDKit | |
| 3.3 | chempirical lib | |
| Molar Refractivity | 54.76880000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 184.14632988 g/mol | RDKit |
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 = 184.28 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H20O2.
