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Molecule
10-Undecyn-1-Ol
CAS: 2774-84-7 · C11H20O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2774-84-7
- Molecular Formula
- C11H20O
- Molecular Mass
- 168.28 g/mol
Identifiers
CAS Registry Number
2774-84-7
SMILES
C#CCCCCCCCCCO
InChI Key
YUQZOUNRPZBQJK-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
Names and Synonyms
- 10-Undecyn-1-Ol Systematic Name
- 10-Undecyn-1-ol Synonym
- 1-Undecyn-11-ol Synonym
- 11-Hydroxy-1-undecyne Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.28 g/mol | CAS Common Chemistry |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8733 g/cm3 @ 20 °C | 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 |
| 2.7327 | RDKit | |
| Molar Refractivity | 52.85480000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 168.15141526 g/mol | RDKit |
| Boiling Point | 124 °C @ 4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 168.28 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H20O.
