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Molecule
Cyclopentyl Methyl Ether
CAS: 5614-37-9 · C6H12O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5614-37-9
- Molecular Formula
- C6H12O
- Molecular Mass
- 100.16 g/mol
Identifiers
CAS Registry Number
5614-37-9
SMILES
COC1CCCC1
InChI Key
SKTCDJAMAYNROS-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3
Names and Synonyms
- Cyclopentyl Methyl Ether Synonym
- Cyclopentane, methoxy- Synonym
- Ether, cyclopentyl methyl Synonym
- Methoxycyclopentane Synonym
- Cyclopentyl methyl ether Synonym
- Methyl cyclopentyl ether Synonym
- CPME Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 100.16 g/mol | CAS Common Chemistry |
| 100.16100000000002 g/mol | RDKit | |
| 100.161 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclopentyl_methyl_ether | CAS Common Chemistry |
| Canonical SMILES | O(C)C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O/c1-7-6-4-2-3-5-6/h6H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SKTCDJAMAYNROS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopentyl methyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.5754000000000001 | RDKit |
| 1.5754 | RDKit | |
| Molar Refractivity | 29.264999999999983 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 100.088815004 g/mol | RDKit |
| Boiling Point | 105.44 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 100.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O.
