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Dicyclohexano-18-Crown-6
CAS: 16069-36-6 | C20H36O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16069-36-6
Molecular Formula:
C20H36O6
Molecular Mass:
372.50 g/mol
Names and Synonyms:
Dicyclohexano-18-Crown-6
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-
Eicosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
Dicyclohexyl-18-crown-6
Perhydrodibenzo-18-crown-6
DCH18C6
2,5,8,15,18,21-Hexaoxatricyclo[20.4.0.09,14]hexacosane
2,3,11,12-Dicyclohexano-1,4,7-10,13,16-hexaoxacyclooctadecane
DCH-18-crown-6
Dicyclohexano-18-crown-6
cis-Dicyclohexano-18-crown-6
NSC 252171
SuperLig 332
Dicyclohexano-18-crown-6-ether
Identifiers:
SMILES:
C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1
InChI:
InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
Key Properties
Boiling Point
342 °C @ Press: 755 Torr
CAS Common Chemistry
Melting Point
68.5-95 °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 | 372.50 g/mol | CAS Common Chemistry |
| 372.50200000000024 g/mol | RDKit | |
| 372.25118887199994 g/mol | RDKit | |
| Boiling Point | 342 °C @ Press: 755 Torr | CAS Common Chemistry |
| Canonical SMILES | O1CCOC2CCCCC2OCCOCCOC3CCCCC3OCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BBGKDYHZQOSNMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 68.5-95 °C | CAS Common Chemistry |
| Name | Dicyclohexano-18-crown-6 | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.38000000000001 Ų | RDKit |
| LogP | 2.7220000000000004 | RDKit |
| Molar Refractivity | 97.53400000000008 | RDKit |
