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Molecule
1,9-Decadiyne
CAS: 1720-38-3 · C10H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1720-38-3
- Molecular Formula
- C10H14
- Molecular Mass
- 134.22 g/mol
Identifiers
CAS Registry Number
1720-38-3
SMILES
C#CCCCCCCC#C
InChI Key
ILVDYAGPHFWNQI-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2
Names and Synonyms
- 1,9-Decadiyne Synonym
- 1,9-Decadiyne Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.22 g/mol | CAS Common Chemistry |
| 134.222 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8288 g/cm3 @ 24.34 °C | CAS Common Chemistry | |
| Canonical SMILES | C#CCCCCCCC#C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1-2H,5-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ILVDYAGPHFWNQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,9-Decadiyne | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.593400000000001 | RDKit |
| 2.5934 | RDKit | |
| Molar Refractivity | 45.36800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 134.109550448 g/mol | RDKit |
| Boiling Point | 68-71 °C @ 13-14 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 = 134.22 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14.
