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(Z)-9-Tricosene
CAS: 27519-02-4 | C23H46
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27519-02-4
Molecular Formula:
C23H46
Molecular Mass:
322.62 g/mol
Names and Synonyms:
(Z)-9-Tricosene
9-Tricosene, (9Z)-
9-Tricosene, (Z)-
(9Z)-9-Tricosene
cis-9-Tricosene
Muscalure
(Z)-9-Tricosene
9Z-Tricosene
Muscamone
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCCCCCCC
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-
Key Properties
Boiling Point
378 °C
CAS Common Chemistry
Melting Point
<0 °C
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 | 322.62 g/mol | CAS Common Chemistry |
| 322.6210000000001 g/mol | RDKit | |
| 322.359951472 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 |
| Molar Refractivity | 108.2110000000001 | RDKit |
