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Molecule
(Z)-9-Tricosene
CAS: 27519-02-4 · C23H46
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 27519-02-4
- Molecular Formula
- C23H46
- Molecular Mass
- 322.62 g/mol
Identifiers
CAS Registry Number
27519-02-4
SMILES
CCCCCCCC/C=CCCCCCCCCCCCCC
InChI Key
IGOWHGRNPLFNDJ-ZPHPHTNESA-N
InChI
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-
Names and Synonyms
- (Z)-9-Tricosene Common Name
- 9-Tricosene, (9Z)- Synonym
- 9-Tricosene, (Z)- Synonym
- (9Z)-9-Tricosene Synonym
- cis-9-Tricosene Synonym
- Muscalure Synonym
- (Z)-9-Tricosene Synonym
- 9Z-Tricosene Synonym
- Muscamone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 322.62 g/mol | CAS Common Chemistry |
| 322.6210000000001 g/mol | RDKit | |
| 322.621 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(Z)-9-Tricosene | CAS Common Chemistry |
| Boiling Point | 378 °C | CAS Common Chemistry |
| Canonical SMILES | C(=CCCCCCCCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17- | CAS Common Chemistry |
| InChI Key | InChIKey=IGOWHGRNPLFNDJ-ZPHPHTNESA-N | CAS Common Chemistry |
| Melting Point | <0 °C | CAS Common Chemistry |
| Name | (Z)-9-Tricosene | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 19 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.9943 | RDKit |
| 8.86 | chempirical lib | |
| Molar Refractivity | 108.2110000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.913 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 322.359951472 g/mol | RDKit |
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 = 322.62 g/mol. Edit any field — others recompute live.
