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Molecule
Pentaerythritol Triallyl Ether
CAS: 1471-17-6 · C14H24O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1471-17-6
- Molecular Formula
- C14H24O4
- Molecular Mass
- 256.34 g/mol
Identifiers
CAS Registry Number
1471-17-6
SMILES
C=CCOCC(CO)(COCC=C)COCC=C
InChI Key
FYRWKWGEFZTOQI-UHFFFAOYSA-N
InChI
InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2
Names and Synonyms
- Pentaerythritol Triallyl Ether Common Name
- 1-Propanol, 3-(2-propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]- Synonym
- 1-Propanol, 3-(allyloxy)-2,2-bis[(allyloxy)methyl]- Synonym
- 1-Propanol, 3-(2-propenyloxy)-2,2-bis[(2-propenyloxy)methyl]- Synonym
- 3-(2-Propen-1-yloxy)-2,2-bis[(2-propen-1-yloxy)methyl]-1-propanol Synonym
- Pentaerythritol triallyl ether Synonym
- 3-(Allyloxy)-2,2-bis[(allyloxy)methyl]-1-propanol Synonym
- Triallyl pentaerythritol Synonym
- Neoallyl P 30 Synonym
- Neoallyl P 30M Synonym
- P 30 Synonym
- PETE Synonym
- P 30M Synonym
- Triallyl pentaerythritol ether Synonym
- 3-Prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.34 g/mol | CAS Common Chemistry |
| 256.3419999999999 g/mol | RDKit | |
| 256.342 g/mol | RDKit | |
| Density | 1.26 g/cm³ | CAS Common Chemistry |
| 1.261 g/cm3 @ 22 °C | CAS Common Chemistry | |
| Canonical SMILES | OCC(COCC=C)(COCC=C)COCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FYRWKWGEFZTOQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pentaerythritol triallyl ether | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 47.92 Ų | RDKit |
| LogP | 1.5729 | RDKit |
| Molar Refractivity | 72.56680000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5714 | RDKit |
| 0.57 | chempirical lib | |
| Exact Mass | 256.167459248 g/mol | RDKit |
| Boiling Point | 152-152.50 °C @ 9.5-10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 256.34 g/mol; density = 1.260 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H24O4.
