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Molecule
Poly(Oxy-1,2-Ethanediyl), Α-(2-Methyl-2-Propen-1-Yl)-Ω-Hydroxy-
CAS: 31497-33-3 · C6H12O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 31497-33-3
- Molecular Formula
- C6H12O2
- Molecular Mass
- 116.16 g/mol
Identifiers
CAS Registry Number
31497-33-3
SMILES
C=C(C)COCCO
InChI Key
HGZYNOXVRGBQKB-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3
Names and Synonyms
- Poly(Oxy-1,2-Ethanediyl), Α-(2-Methyl-2-Propen-1-Yl)-Ω-Hydroxy- Systematic Name
- Poly(ethylene glycol) mono(2-methylallyl) ether Synonym
- Poly(oxy-1,2-ethanediyl), α-(2-methyl-2-propen-1-yl)-ω-hydroxy- Synonym
- Glycols, polyethylene, mono(2-methylallyl) ether Synonym
- Poly(oxy-1,2-ethanediyl), α-(2-methyl-2-propenyl)-ω-hydroxy- Synonym
- Methallyloxypolyethylene glycol Synonym
- Polyethylene glycol methallyl ether Synonym
- Polyethylene glycol monomethallyl ether Synonym
- Ethoxylated 2-methyl-2-propene-1-ol Synonym
- HPEG 1200 Synonym
- HPEG 2400 Synonym
- TJ 188C Synonym
- Polyethylene glycol isobutenyl ether Synonym
- Polyethylene oxide isobutenyl ether Synonym
- MLA 75 Synonym
- MLA 25 Synonym
- MLA 150 Synonym
- Ethoxylated 2-methyl-2-propen-1-ol Synonym
- Ethoxylated methallyl alcohol Synonym
- DD 524 Synonym
- HPEG 5000 Synonym
- WR 6251 Synonym
- Aoke 703 Synonym
- Isobutenol polyoxyethylene ether Synonym
- Polyethylene glycol 2-methyl-2-propenyl ether Synonym
- F 1088 Synonym
- HPEG 400 Synonym
- HPEG 4800 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 | OCCOCC(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O2/c1-6(2)5-8-4-3-7/h7H,1,3-5H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HGZYNOXVRGBQKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(oxy-1,2-ethanediyl), α-(2-methyl-2-propen-1-yl)-ω-hydroxy- | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.5713999999999999 | RDKit |
| 0.5714 | RDKit | |
| Molar Refractivity | 32.71879999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 116.083729624 g/mol | RDKit |
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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| 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.
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MW = 116.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O2.
