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Molecule
Deuterated Thf
CAS: 1693-74-9 · C4H8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1693-74-9
- Molecular Formula
- C4H8O
- Molecular Mass
- 80.16 g/mol
Identifiers
CAS Registry Number
1693-74-9
SMILES
[2H]C1([2H])OC([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChI Key
WYURNTSHIVDZCO-SVYQBANQSA-N
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2
Names and Synonyms
- Deuterated Thf Common Name
- Furan-2,3,4,5-d4, tetrahydro-d4- Synonym
- Furan-d4, tetrahydro-d4- Synonym
- Tetrahydro-d4furan-2,3,4,5-d4 Synonym
- Tetrahydrofuran-d8 Synonym
- THF-d8 Synonym
- Perdeuterotetrahydrofuran Synonym
- d8-THF Synonym
- 2,2,3,3,4,4,5,5-Octadeuteriooxolane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.16 g/mol | CAS Common Chemistry |
| 80.15581422399997 g/mol | RDKit | |
| 80.10772884399998 g/mol | RDKit | |
| 80.1558 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Deuterated_THF | CAS Common Chemistry |
| Boiling Point | 65.4 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2/i1D2,2D2,3D2,4D2 | CAS Common Chemistry |
| InChI Key | InChIKey=WYURNTSHIVDZCO-SVYQBANQSA-N | CAS Common Chemistry |
| Melting Point | -105.6 °C | CAS Common Chemistry |
| Name | THF-d8 | CAS Common Chemistry |
| Deuterated THF | CAS Common Chemistry | |
| Heavy Atom Count | 5 | 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 | 0.7968 | RDKit |
| Molar Refractivity | 20.052999999999997 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.107 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 80.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O.
