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Pentyl Ether
CAS: 693-65-2 | C10H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
693-65-2
Molecular Formula:
C10H22O
Molecular Mass:
158.29 g/mol
Names and Synonyms:
Pentyl Ether
Pentane, 1,1′-oxybis-
Pentyl ether
1,1′-Oxybis[pentane]
Amyl ether
n-Amyl ether
Diamyl ether
Di-n-amyl ether
Dipentyl ether
n-Pentyl ether
Di-n-Pentyl ether
Bis(1-pentyl) ether
1,1-Dipentyl ether
NSC 6571
1-Pentoxypentane
Identifiers:
SMILES:
CCCCCOCCCCC
InChI:
InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3
Key Properties
Boiling Point
190 °C
CAS Common Chemistry
Melting Point
-69 °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 | 158.29 g/mol | CAS Common Chemistry |
| 158.28499999999997 g/mol | RDKit | |
| 158.167065324 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.7864 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Boiling Point | 190 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCCCC)CCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O/c1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AOPDRZXCEAKHHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -69 °C | CAS Common Chemistry |
| Name | Pentyl ether | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.3834000000000026 | RDKit |
| Molar Refractivity | 49.86900000000003 | RDKit |
