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1-Undecene
CAS: 821-95-4 | C11H22
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
821-95-4
Molecular Formula:
C11H22
Molecular Mass:
154.30 g/mol
Names and Synonyms:
1-Undecene
1-Undecene
n-1-Undecene
α-Undecene
NSC 73983
Identifiers:
SMILES:
C=CCCCCCCCCC
InChI:
InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
Key Properties
Boiling Point
192.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-49.2 °C
CAS Common Chemistry
Density
0.75 g/cm³
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 | 154.30 g/mol | CAS Common Chemistry |
| 154.297 g/mol | RDKit | |
| 154.172150704 g/mol | RDKit | |
| Density | 0.75 g/cm³ | CAS Common Chemistry |
| 0.7503 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 192.7 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DCTOHCCUXLBQMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -49.2 °C | CAS Common Chemistry |
| Name | 1-Undecene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.313100000000003 | RDKit |
| Molar Refractivity | 52.80700000000004 | RDKit |
