Back to Search
4-(1,4-Dioxaspiro[4.5]Dec-8-Yl)Cyclohexanone
CAS: 56309-94-5 | C14H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56309-94-5
Molecular Formula:
C14H22O3
Molecular Mass:
238.33 g/mol
Names and Synonyms:
4-(1,4-Dioxaspiro[4.5]Dec-8-Yl)Cyclohexanone
Cyclohexanone, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-
1,4-Dioxaspiro[4.5]decane, cyclohexanone deriv.
4-(1,4-Dioxaspiro[4.5]dec-8-yl)cyclohexanone
4,4′-Dicyclohexanedione monoethylene ketal
4-(1,4-Dioxaspiro[4.5]deca-8-yl)cyclohexanone
4-(7,10-Dioxaspiro[5.4]decan-3-yl)cyclohexan-1-one
Identifiers:
SMILES:
O=C1CCC(C2CCC3(CC2)OCCO3)CC1
InChI:
InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2
Key Properties
Melting Point
109 °C
CAS Common Chemistry
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 | 238.33 g/mol | CAS Common Chemistry |
| 238.3269999999999 g/mol | RDKit | |
| 238.156894564 g/mol | RDKit | |
| Canonical SMILES | O=C1CCC(CC1)C2CCC3(OCCO3)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H22O3/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h11-12H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNWLFTSPNBLXGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109 °C | CAS Common Chemistry |
| Name | 4-(1,4-Dioxaspiro[4.5]dec-8-yl)cyclohexanone | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 2.679000000000001 | RDKit |
| Molar Refractivity | 63.55800000000005 | RDKit |
