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Molecule
Oxt 101
CAS: 3047-32-3 · C6H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3047-32-3
- Molecular Formula
- C6H12O2
- Molecular Mass
- 116.16 g/mol
Identifiers
CAS Registry Number
3047-32-3
SMILES
CCC1(CO)COC1
InChI Key
UNMJLQGKEDTEKJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
Names and Synonyms
- Oxt 101 Synonym
- 3-Oxetanemethanol, 3-ethyl- Synonym
- 3-Ethyl-3-oxetanemethanol Synonym
- 3-Ethyl-3-(hydroxymethyl)oxacyclobutane Synonym
- 3-Hydroxymethyl-3-ethyloxetane Synonym
- 3-Ethyl-3-(hydroxymethyl)oxetane Synonym
- 3-Ethyl-3-methyloloxetane Synonym
- EOXA Synonym
- Cyracure UVR 6000 Synonym
- Aron Oxetane OXT 101 Synonym
- OXA Synonym
- OXA (oxetane) Synonym
- OXT 101 Synonym
- UVR 6000 Synonym
- Eternacoll EHO Synonym
- (3-Ethyloxetan-3-yl)methanol Synonym
- Aron Oxetane OXA Synonym
- EHO Synonym
- Trimethylolpropane oxetane Synonym
- 3-Ethyl-3-oxetanylmethyl alcohol Synonym
- Syna OXA-S 101 Synonym
- S 101 Synonym
- Synasia S 101 Synonym
- TCM 101 Synonym
- 3-Ethyl-3-hydroxymethyloxethane Synonym
- Uvicure S 130 Synonym
- Doublemer 401 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| 116.15999999999998 g/mol | RDKit | |
| Canonical SMILES | OCC1(COC1)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UNMJLQGKEDTEKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | OXT 101 | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.40530000000000005 | RDKit |
| 0.4053 | RDKit | |
| Molar Refractivity | 30.628799999999984 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 116.083729624 g/mol | RDKit |
| Boiling Point | 84 °C @ 2.8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
7
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 116.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O2.
