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Molecule
2,2′,2′′-[Methylidynetris(Oxy)]Tris[Propane]
CAS: 4447-60-3 · C10H22O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4447-60-3
- Molecular Formula
- C10H22O3
- Molecular Mass
- 190.28 g/mol
Identifiers
CAS Registry Number
4447-60-3
SMILES
CC(C)OC(OC(C)C)OC(C)C
InChI Key
FPIVAWNGRDHRSQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H22O3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-10H,1-6H3
Names and Synonyms
- 2,2′,2′′-[Methylidynetris(Oxy)]Tris[Propane] Systematic Name
- Propane, 2,2′,2′′-[methylidynetris(oxy)]tris- Synonym
- Orthoformic acid, triisopropyl ester Synonym
- 2,2′,2′′-[Methylidynetris(oxy)]tris[propane] Synonym
- Triisopropyl orthoformate Synonym
- Tri-iso-propyl orthoformate Synonym
- Tri(prop-2-yl) orthoformate Synonym
- Tri(2-propyl) orthoformate Synonym
- 2-[Di(propan-2-yloxy)methoxy]propane Synonym
- 2-[Bis(propan-2-yloxy)methoxy]propane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.28 g/mol | CAS Common Chemistry |
| 190.283 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8600 g/cm3 @ 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 |
| 2.545 | RDKit | |
| Molar Refractivity | 52.45100000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 190.156894564 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
External Resources
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MW = 190.28 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H22O3.
