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1-Heptadecene
CAS: 6765-39-5 | C17H34
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6765-39-5
Molecular Formula:
C17H34
Molecular Mass:
238.46 g/mol
Names and Synonyms:
1-Heptadecene
1-Heptadecene
Hexahydroaplotaxene
NSC 77132
Identifiers:
SMILES:
C=CCCCCCCCCCCCCCCC
InChI:
InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3
Key Properties
Boiling Point
300 °C
CAS Common Chemistry
Melting Point
11.5 °C
CAS Common Chemistry
Density
0.79 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 | 238.46 g/mol | CAS Common Chemistry |
| 238.45899999999992 g/mol | RDKit | |
| 238.266051088 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7854 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 300 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C17H34/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3H,1,4-17H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ADOBXTDBFNCOBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 11.5 °C | CAS Common Chemistry |
| Name | 1-Heptadecene | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.653700000000006 | RDKit |
| Molar Refractivity | 80.50900000000007 | RDKit |
