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Molecule
(+)-3-Hydroxytetrahydrofuran
CAS: 86087-23-2 · C4H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86087-23-2
- Molecular Formula
- C4H8O2
- Molecular Mass
- 88.11 g/mol
Identifiers
CAS Registry Number
86087-23-2
SMILES
O[C@H]1CCOC1
InChI Key
XDPCNPCKDGQBAN-BYPYZUCNSA-N
InChI
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1
Names and Synonyms
- (+)-3-Hydroxytetrahydrofuran Common Name
- 3-Furanol, tetrahydro-, (3S)- Synonym
- 3-Furanol, tetrahydro-, (S)- Synonym
- (3S)-Tetrahydro-3-furanol Synonym
- (S)-Tetrahydro-3-furanol Synonym
- (S)-(+)-3-Hydroxytetrahydrofuran Synonym
- (+)-3-Hydroxytetrahydrofuran Synonym
- (S)-3-Hydroxytetrahydrofuran Synonym
- 3S-Hydroxytetrahydrofuran Synonym
- (S)-(+)-Tetrahydrofuran-3-ol Synonym
- (3S)-Tetrahydrofuran-3-ol Synonym
- (3S)-Oxolan-3-ol Synonym
- (3S)-Oxolan-3-ol Synonym
- 3-Furanol tetrahydro-, (3S)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 88.11 g/mol | CAS Common Chemistry |
| 88.106 g/mol | RDKit | |
| Canonical SMILES | OC1COCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XDPCNPCKDGQBAN-BYPYZUCNSA-N | CAS Common Chemistry |
| Name | (+)-3-Hydroxytetrahydrofuran | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | -0.23239999999999994 | RDKit |
| -0.2324 | RDKit | |
| Molar Refractivity | 21.442799999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 88.052429496 g/mol | RDKit |
| Boiling Point | 80 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 88.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O2.
