Back to Search
1,3,5-Undecatriene
CAS: 16356-11-9 | C11H18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16356-11-9
Molecular Formula:
C11H18
Molecular Weight:
150.265 g/mol
Names and Synonyms:
1,3,5-Undecatriene
1,3,5-Undecatriene
Identifiers:
SMILES:
C=CC=CC=CCCCCC
InChI:
InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 150.265 g/mol | RDKit |
| Exact | Exact Molecular Weight | 150.140850576 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 | 6 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Physical Properties | LogP | 3.8651000000000026 | RDKit |
| molecular_mass | 150.27 g/mol | Legacy Database | |
| cas-canonical-smile | C=CC=CC=CCCCCC | Legacy Database | |
| cas-inchi | InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=JQQDKNVOSLONRS-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 1,3,5-Undecatriene | Legacy Database | |
| Molar | Molar Refractivity | 52.619000000000035 | RDKit |
