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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
Loading 3D structure...
Basic Information
CAS Registry Number:
187848-68-6
Molecular Formula:
C12H23NO6
Molecular Mass:
277.32 g/mol
Names and Synonyms:
Poly(Oxy-1,2-Ethanediyl), Α-(2-Carboxyethyl)-Ω-[2-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Ethoxy]-
Poly(oxy-1,2-ethanediyl), α-(2-carboxyethyl)-ω-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-
Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether
Identifiers:
SMILES:
CC(C)(C)OC(O)=NCCOCCOCCC(=O)O
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)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.32 g/mol | CAS Common Chemistry |
| 277.3169999999999 g/mol | RDKit | |
| 277.152537456 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 | RDKit |
