Back to Search
4-Dichloroacetyl-1-Oxa-4-Azaspiro[4.5]Decane
CAS: 71526-07-3 | C10H15Cl2NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71526-07-3
Molecular Formula:
C10H15Cl2NO2
Molecular Mass:
252.14 g/mol
Names and Synonyms:
4-Dichloroacetyl-1-Oxa-4-Azaspiro[4.5]Decane
Ethanone, 2,2-dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)-
1-Oxa-4-azaspiro[4.5]decane, 4-(dichloroacetyl)-
2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]dec-4-yl)ethanone
AD 67
MON 4660
4-Dichloroacetyl-1-oxa-4-azaspiro[4.5]decane
2,2-Dichloro-1-(1-oxa-4-azaspiro [4.5] Deccan-4-yl)ethane-1-on
AD-67
2,2-Dichloro-1-(1-oxa-4-azaspiro[4.5]decan-4-yl)ethanone
Identifiers:
SMILES:
O=C(C(Cl)Cl)N1CCOC12CCCCC2
InChI:
InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2
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 | 252.14 g/mol | CAS Common Chemistry |
| 252.1409999999999 g/mol | RDKit | |
| 251.04798408 g/mol | RDKit | |
| Canonical SMILES | O=C(N1CCOC12CCCCC2)C(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C10H15Cl2NO2/c11-8(12)9(14)13-6-7-15-10(13)4-2-1-3-5-10/h8H,1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=QWWHRELOCZEQNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Dichloroacetyl-1-oxa-4-azaspiro[4.5]decane | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| LogP | 2.3093000000000004 | RDKit |
| Molar Refractivity | 58.97500000000003 | RDKit |
