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Molecule
2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexyne-3
CAS: 1068-27-5 · C16H30O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1068-27-5
- Molecular Formula
- C16H30O4
- Molecular Mass
- 286.41 g/mol
Identifiers
CAS Registry Number
1068-27-5
SMILES
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
InChI Key
ODBCKCWTWALFKM-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3
Names and Synonyms
- 2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexyne-3 Systematic Name
- Peroxide, 1,1′-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl) Synonym
- Peroxide, (1,1,4,4-tetramethyl-2-butynylene)bis[tert-butyl Synonym
- Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl) Synonym
- Peroxide, (tetramethyl-2-butynylene)bis[tert-butyl Synonym
- 1,1′-(1,1,4,4-Tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl) peroxide] Synonym
- 3,4,9,10-Tetraoxadodec-6-yne, 2,2,5,5,8,8,11,11-octamethyl- Synonym
- Luperox 130 Synonym
- Lupersol 130 Synonym
- Luperco 130XL Synonym
- Cab-O-Cure 2P Synonym
- 2,5-Dimethyl-2,5-bis(tert-butyldioxy)-3-hexyne Synonym
- Perhexyne 2.5B Synonym
- 2,5-Dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne Synonym
- PX 1 Synonym
- Kayahexa YD Synonym
- Perhexyne 2.5B40 Synonym
- Perhexyne 25B40 Synonym
- Perhexyne 25B Synonym
- 2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne-3 Synonym
- 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne Synonym
- Trigonox 145 Synonym
- Luperox XL 130 Synonym
- Varox 130XL Synonym
- PX 1 (peroxide) Synonym
- 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne Synonym
- 2,5-Dimethyl-2,5-di(tert-butylperoxy)-3-hexyne Synonym
- 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexyne Synonym
- 2,5-Dimethyl-2,5-di(t-butylperoxy)-3-hexyne Synonym
- L 130 Synonym
- L 130 (peroxide) Synonym
- Trigonox 145E85 Synonym
- LX 130 Synonym
- 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3 Synonym
- Sanperox YPO Synonym
- DYBP Synonym
- Trigonox 145-45B Synonym
- 2,5-Dimethyl-2,5-di-tert-butylperoxyhexyne Synonym
- Aztec DYBP Synonym
- 25B Synonym
- Peroxide D 25 Synonym
- D 25 (peroxide) Synonym
- D 25 Synonym
- Interox DYBP Synonym
- Trigonox 145B45PD Synonym
- 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3 Synonym
- Kayahexa YD 50C Synonym
- Luperox 130XL45 Synonym
- 2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne Synonym
- DYBP 85WO Synonym
- 2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexyne Synonym
- Trigonox 101HP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.41 g/mol | CAS Common Chemistry |
| 286.412 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.881 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | C(#CC(OOC(C)(C)C)(C)C)C(OOC(C)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ODBCKCWTWALFKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3 | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.92 Ų | RDKit |
| LogP | 4.0404000000000035 | RDKit |
| 4.0404 | RDKit | |
| Molar Refractivity | 79.78000000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 286.21440944 g/mol | RDKit |
| Boiling Point | 65-67 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
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MW = 286.41 g/mol; density = 0.880 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H30O4.
