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15-Crown-5
CAS: 33100-27-5 | C10H20O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33100-27-5
Molecular Formula:
C10H20O5
Molecular Mass:
220.27 g/mol
Names and Synonyms:
15-Crown-5
1,4,7,10,13-Pentaoxacyclopentadecane
15-Crown-5
15-Crown-5 ether
Ethylene oxide cyclic pentamer
15C5
Crown Ether O 15
Identifiers:
SMILES:
C1COCCOCCOCCOCCO1
InChI:
InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2
Key Properties
Boiling Point
100-135 °C
CAS Common Chemistry
Density
1.32 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 | 220.27 g/mol | CAS Common Chemistry |
| 220.26499999999993 g/mol | RDKit | |
| 220.13107374 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.324 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/15-Crown-5 | CAS Common Chemistry |
| Boiling Point | 100-135 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCOCCOCCOCCOCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VFTFKUDGYRBSAL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 15-Crown-5 | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.150000000000006 Ų | RDKit |
| LogP | 0.08300000000000085 | RDKit |
| Molar Refractivity | 54.09500000000005 | RDKit |
