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1,1′,1′′-[Methylidynetris(Oxy)]Tris[Propane]
CAS: 621-76-1 | C10H22O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
621-76-1
Molecular Formula:
C10H22O3
Molecular Mass:
190.28 g/mol
Names and Synonyms:
1,1′,1′′-[Methylidynetris(Oxy)]Tris[Propane]
Propane, 1,1′,1′′-[methylidynetris(oxy)]tris-
Orthoformic acid, tripropyl ester
1,1′,1′′-[Methylidynetris(oxy)]tris[propane]
Tripropyl orthoformate
Tripropoxymethane
Propyl orthoformate
1-(Dipropoxymethoxy)propane
Identifiers:
SMILES:
CCCOC(OCCC)OCCC
InChI:
InChI=1S/C10H22O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h10H,4-9H2,1-3H3
Key Properties
Boiling Point
191 °C
CAS Common Chemistry
Density
0.88 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 |
| 190.28299999999996 g/mol | RDKit | |
| 190.156894564 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8805 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 191 °C | CAS Common Chemistry |
| Canonical SMILES | O(CCC)C(OCCC)OCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H22O3/c1-4-7-11-10(12-8-5-2)13-9-6-3/h10H,4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RWNXXQFJBALKAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1′,1′′-[Methylidynetris(oxy)]tris[propane] | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.5498000000000003 | RDKit |
| Molar Refractivity | 52.51700000000004 | RDKit |
