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10-Undecenoyl Chloride
CAS: 38460-95-6 | C11H19ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38460-95-6
Molecular Formula:
C11H19ClO
Molecular Mass:
202.73 g/mol
Names and Synonyms:
10-Undecenoyl Chloride
10-Undecylenoyl chloride
10-Undecenoyl chloride
ω-Undecylenic acid chloride
10-Hendecenoyl chloride
ω-Undecenoyl chloride
NSC 155178
Undec-10-enoyl chloride
Identifiers:
SMILES:
C=CCCCCCCCCC(=O)Cl
InChI:
InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2
Key Properties
Boiling Point
102 °C @ Press: 2 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.73 g/mol | CAS Common Chemistry |
| 202.725 g/mol | RDKit | |
| 202.112442908 g/mol | RDKit | |
| Boiling Point | 102 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)CCCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MZFGYVZYLMNXGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 10-Undecenoyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 4.058600000000003 | RDKit |
| Molar Refractivity | 57.993000000000045 | RDKit |
