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10-Undecen-1-Ol
CAS: 112-43-6 | C11H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-43-6
Molecular Formula:
C11H22O
Molecular Mass:
170.30 g/mol
Names and Synonyms:
10-Undecen-1-Ol
10-Undecen-1-ol
1-Undecen-11-ol
Undecylenic alcohol
10-Undecylen-1-ol
10-Undecenol
11-Hydroxy-1-undecene
ω-Undecenyl alcohol
10-Undecenyl alcohol
ω-Undecenol
ω-Undecylenyl alcohol
NSC 66157
Identifiers:
SMILES:
C=CCCCCCCCCCO
InChI:
InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2
Key Properties
Boiling Point
250 °C
CAS Common Chemistry
Melting Point
-2 °C
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 | 170.30 g/mol | CAS Common Chemistry |
| 170.296 g/mol | RDKit | |
| 170.167065324 g/mol | RDKit | |
| Boiling Point | 250 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,12H,1,3-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GIEMHYCMBGELGY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -2 °C | CAS Common Chemistry |
| Name | 10-Undecen-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 3.285500000000002 | RDKit |
| Molar Refractivity | 54.218800000000044 | RDKit |
