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Molecule
10-Undecenoyl Chloride
CAS: 38460-95-6 · C11H19ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38460-95-6
- Molecular Formula
- C11H19ClO
- Molecular Mass
- 202.73 g/mol
Identifiers
CAS Registry Number
38460-95-6
SMILES
C=CCCCCCCCCC(=O)Cl
InChI Key
MZFGYVZYLMNXGL-UHFFFAOYSA-N
InChI
InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2
Names and Synonyms
- 10-Undecenoyl Chloride Synonym
- 10-Undecylenoyl chloride Synonym
- 10-Undecenoyl chloride Synonym
- ω-Undecylenic acid chloride Synonym
- 10-Hendecenoyl chloride Synonym
- ω-Undecenoyl chloride Synonym
- NSC 155178 Synonym
- Undec-10-enoyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.73 g/mol | CAS Common Chemistry |
| 202.725 g/mol | RDKit | |
| 202.722 g/mol | chempirical lib | |
| 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 |
| 4.0586 | RDKit | |
| 4.16 | chempirical lib | |
| Molar Refractivity | 57.993000000000045 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7273 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 202.112442908 g/mol | RDKit |
| Boiling Point | 102 °C @ 2 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
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MW = 202.73 g/mol. Edit any field — others recompute live.
