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10-Undecyn-1-Ol
CAS: 2774-84-7 | C11H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2774-84-7
Molecular Formula:
C11H20O
Molecular Mass:
168.28 g/mol
Names and Synonyms:
10-Undecyn-1-Ol
10-Undecyn-1-ol
1-Undecyn-11-ol
11-Hydroxy-1-undecyne
Identifiers:
SMILES:
C#CCCCCCCCCCO
InChI:
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
Key Properties
Boiling Point
124 °C @ Press: 4 Torr
CAS Common Chemistry
Density
0.87 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 | 168.28 g/mol | CAS Common Chemistry |
| 168.15141526 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8733 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 124 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | C#CCCCCCCCCCO | CAS Common Chemistry |
| InChI | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YUQZOUNRPZBQJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 10-Undecyn-1-ol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.7327000000000017 | RDKit |
| Molar Refractivity | 52.85480000000004 | RDKit |
