Back to Search
2,2′,2′′-[Methylidynetris(Oxy)]Tris[Propane]
CAS: 4447-60-3 | C10H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4447-60-3
Molecular Formula:
C10H22O3
Molecular Mass:
190.28 g/mol
Names and Synonyms:
2,2′,2′′-[Methylidynetris(Oxy)]Tris[Propane]
Propane, 2,2′,2′′-[methylidynetris(oxy)]tris-
Orthoformic acid, triisopropyl ester
2,2′,2′′-[Methylidynetris(oxy)]tris[propane]
Triisopropyl orthoformate
Tri-iso-propyl orthoformate
Tri(prop-2-yl) orthoformate
Tri(2-propyl) orthoformate
2-[Di(propan-2-yloxy)methoxy]propane
2-[Bis(propan-2-yloxy)methoxy]propane
Identifiers:
SMILES:
CC(C)OC(OC(C)C)OC(C)C
InChI:
InChI=1S/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3
Key Properties
Boiling Point
167 °C
CAS Common Chemistry
Density
0.86 g/cm³
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 | 190.28 g/mol | CAS Common Chemistry |
| 190.283 g/mol | RDKit | |
| 190.156894564 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8600 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 167 °C | CAS Common Chemistry |
| Canonical SMILES | O(C(OC(C)C)OC(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FPIVAWNGRDHRSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2′,2′′-[Methylidynetris(oxy)]tris[propane] | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.545000000000001 | RDKit |
| Molar Refractivity | 52.45100000000004 | RDKit |
