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Molecule
1,1-Dimethylethyl N-[2-[2-(2-Hydroxyethoxy)Ethoxy]Ethyl]Carbamate
CAS: 139115-92-7 · C11H23NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 139115-92-7
- Molecular Formula
- C11H23NO5
- Molecular Mass
- 249.31 g/mol
Identifiers
CAS Registry Number
139115-92-7
SMILES
CC(C)(C)OC(O)=NCCOCCOCCO
InChI Key
FMLOTGGIHAYZLW-UHFFFAOYSA-N
InChI
InChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14)
Names and Synonyms
- 1,1-Dimethylethyl N-[2-[2-(2-Hydroxyethoxy)Ethoxy]Ethyl]Carbamate Systematic Name
- Carbamic acid, N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-, 1,1-dimethylethyl ester Synonym
- Carbamic acid, [2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-, 1,1-dimethylethyl ester Synonym
- 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate Synonym
- 2-[2-(2-tert-Butyloxycarbonylaminoethoxy)ethoxy]ethanol Synonym
- tert-Butyl [2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate Synonym
- [2-[2-(2-Hydroxyethoxy)ethoxy]ethyl]carbamic acid tert-butyl ester Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 249.31 g/mol | CAS Common Chemistry |
| 249.3069999999999 g/mol | RDKit | |
| 249.307 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(C)(C)C)NCCOCCOCCO | CAS Common Chemistry |
| InChI | InChI=1S/C11H23NO5/c1-11(2,3)17-10(14)12-4-6-15-8-9-16-7-5-13/h13H,4-9H2,1-3H3,(H,12,14) | CAS Common Chemistry |
| InChI Key | InChIKey=FMLOTGGIHAYZLW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.51 Ų | RDKit |
| LogP | 0.7409999999999999 | RDKit |
| 0.741 | RDKit | |
| Molar Refractivity | 64.49260000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9091 | RDKit |
| 0.91 | chempirical lib | |
| Exact Mass | 249.157622836 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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 = 249.31 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H23NO5.
