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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 Weight:
154.297 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.30 g/mol | Legacy Database |
| density | 0.75 g/cm³ | Legacy Database | |
| cas-boiling-point | 192.7 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | C=CCCCCCCCCC | Legacy Database | |
| cas-density | 0.7503 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=DCTOHCCUXLBQMS-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -49.2 °C | Legacy Database | |
| cas-name | 1-Undecene | Legacy Database | |
| LogP | 4.313100000000003 | RDKit | |
| Molecular | Molecular Weight | 154.297 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.172150704 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 8 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 52.80700000000004 | RDKit |
