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Molecule
Methoxypropane
CAS: 557-17-5 · C4H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 557-17-5
- Molecular Formula
- C4H10O
- Molecular Mass
- 74.12 g/mol
Identifiers
CAS Registry Number
557-17-5
SMILES
CCCOC
InChI Key
VNKYTQGIUYNRMY-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3
Names and Synonyms
- Methoxypropane Synonym
- Propane, 1-methoxy- Synonym
- Propyl methyl ether Synonym
- Ether, methyl propyl Synonym
- Methyl propyl ether Synonym
- Methyl n-propyl ether Synonym
- Metopryl Synonym
- Neothyl Synonym
- 1-Methoxypropane Synonym
- α-Methoxypropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.12 g/mol | CAS Common Chemistry |
| 74.12299999999999 g/mol | RDKit | |
| 74.123 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.7356 g/cm3 @ 13 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methoxypropane | CAS Common Chemistry |
| Boiling Point | 39.1 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VNKYTQGIUYNRMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl propyl ether | CAS Common Chemistry |
| Methoxypropane | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.0428 | RDKit |
| Molar Refractivity | 22.166999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 74.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 74.12 g/mol; density = 0.740 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10O.
