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1-Tetradecyne
CAS: 765-10-6 | C14H26
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
765-10-6
Molecular Formula:
C14H26
Molecular Mass:
194.36 g/mol
Names and Synonyms:
1-Tetradecyne
1-Tetradecyne
Identifiers:
SMILES:
C#CCCCCCCCCCCCC
InChI:
InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3
Key Properties
Boiling Point
132-134 °C @ Press: 14 Torr
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 | 194.36 g/mol | CAS Common Chemistry |
| 194.36199999999997 g/mol | RDKit | |
| 194.203450832 g/mol | RDKit | |
| Boiling Point | 132-134 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | C#CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DZEFNRWGWQDGTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Tetradecyne | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.9306000000000045 | RDKit |
| Molar Refractivity | 65.29400000000005 | RDKit |
