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Molecule
1-Nonadecene
CAS: 18435-45-5 · C19H38
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18435-45-5
- Molecular Formula
- C19H38
- Molecular Mass
- 266.51 g/mol
Identifiers
CAS Registry Number
18435-45-5
SMILES
C=CCCCCCCCCCCCCCCCCC
InChI Key
NHLUYCJZUXOUBX-UHFFFAOYSA-N
InChI
InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3
Names and Synonyms
- 1-Nonadecene Systematic Name
- 1-Nonadecene Synonym
- NSC 77135 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.51 g/mol | CAS Common Chemistry |
| 266.5129999999999 g/mol | RDKit | |
| 266.513 g/mol | RDKit | |
| Boiling Point | 329 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H38/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3H,1,4-19H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NHLUYCJZUXOUBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 23 °C | CAS Common Chemistry |
| Name | 1-Nonadecene | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 7.433900000000007 | RDKit |
| 7.4339 | RDKit | |
| 7.3 | chempirical lib | |
| Molar Refractivity | 89.74300000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8947 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 266.297351216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 266.51 g/mol. Edit any field — others recompute live.
