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Molecule
Poly(Oxy-1,2-Ethanediyl), Α-(2-Carboxyethyl)-Ω-[2-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Ethoxy]-
CAS: 187848-68-6 · C12H23NO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 187848-68-6
- Molecular Formula
- C12H23NO6
- Molecular Mass
- 277.32 g/mol
Identifiers
CAS Registry Number
187848-68-6
SMILES
CC(C)(C)OC(O)=NCCOCCOCCC(=O)O
InChI Key
OZMXZVCAXAQCHJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H23NO6/c1-12(2,3)19-11(16)13-5-7-18-9-8-17-6-4-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15)
Names and Synonyms
- Poly(Oxy-1,2-Ethanediyl), Α-(2-Carboxyethyl)-Ω-[2-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Ethoxy]- Systematic Name
- Poly(oxy-1,2-ethanediyl), α-(2-carboxyethyl)-ω-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]- Synonym
- Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.32 g/mol | CAS Common Chemistry |
| 277.3169999999999 g/mol | RDKit | |
| 277.317 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCOCCOCCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C12H23NO6/c1-12(2,3)19-11(16)13-5-7-18-9-8-17-6-4-10(14)15/h4-9H2,1-3H3,(H,13,16)(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=OZMXZVCAXAQCHJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Poly(oxy-1,2-ethanediyl), α-(2-carboxyethyl)-ω-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]- | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.58 Ų | RDKit |
| LogP | 1.2234 | RDKit |
| Molar Refractivity | 69.65960000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 277.152537456 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 277.32 g/mol. Edit any field — others recompute live.
