Back to Search
Molecule
2-Methyltetrahydrofuran
CAS: 96-47-9 · C5H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 96-47-9
- Molecular Formula
- C5H10O
- Molecular Mass
- 86.13 g/mol
Identifiers
CAS Registry Number
96-47-9
SMILES
CC1CCCO1
InChI Key
JWUJQDFVADABEY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
Names and Synonyms
- 2-Methyltetrahydrofuran Synonym
- Furan, tetrahydro-2-methyl- Synonym
- Tetrahydro-2-methylfuran Synonym
- 2-Methyltetrahydrofuran Synonym
- Tetrahydrosylvan Synonym
- MTHF Synonym
- (±)-2-Methyltetrahydrofuran Synonym
- NSC 2115 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.13 g/mol | CAS Common Chemistry |
| 86.134 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.9564 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Boiling Point | 78 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCCC1C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JWUJQDFVADABEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -136 °C | CAS Common Chemistry |
| Name | 2-Methyltetrahydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 1.1853 | RDKit |
| Molar Refractivity | 24.64799999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 86.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 86.13 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O.
