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1,1-Dimethoxydecane
CAS: 7779-41-1 | C12H26O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7779-41-1
Molecular Formula:
C12H26O2
Molecular Mass:
202.34 g/mol
Names and Synonyms:
1,1-Dimethoxydecane
Decane, 1,1-dimethoxy-
Decanal, dimethyl acetal
1,1-Dimethoxydecane
NSC 46132
Identifiers:
SMILES:
CCCCCCCCCC(OC)OC
InChI:
InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
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 | 202.34 g/mol | CAS Common Chemistry |
| 202.338 g/mol | RDKit | |
| 202.193280072 g/mol | RDKit | |
| Canonical SMILES | O(C)C(OC)CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NCRNCSZWOOYBQF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dimethoxydecane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.746000000000003 | RDKit |
| Molar Refractivity | 60.41600000000006 | RDKit |
