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2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexyne-3
CAS: 1068-27-5 | C16H30O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1068-27-5
Molecular Formula:
C16H30O4
Molecular Weight:
286.412 g/mol
Names and Synonyms:
2,5-Dimethyl-2,5-Di(Tert-Butylperoxy)Hexyne-3
Common Name
Trigonox 101HP
Synonym
2,5-Dimethyl-2,5-bis(tert-butylperoxy)hexyne
Synonym
DYBP 85WO
Synonym
2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne
Synonym
Luperox 130XL45
Synonym
Kayahexa YD 50C
Synonym
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3
Synonym
Trigonox 145B45PD
Synonym
Interox DYBP
Synonym
D 25
Synonym
D 25 (peroxide)
Synonym
Peroxide D 25
Synonym
25B
Synonym
Aztec DYBP
Synonym
2,5-Dimethyl-2,5-di-tert-butylperoxyhexyne
Synonym
Trigonox 145-45B
Synonym
DYBP
Synonym
Sanperox YPO
Synonym
2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3
Synonym
LX 130
Synonym
Trigonox 145E85
Synonym
L 130 (peroxide)
Synonym
L 130
Synonym
2,5-Dimethyl-2,5-di(t-butylperoxy)-3-hexyne
Synonym
2,5-Bis(tert-butylperoxy)-2,5-dimethylhexyne
Synonym
2,5-Dimethyl-2,5-di(tert-butylperoxy)-3-hexyne
Synonym
2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne
Synonym
PX 1 (peroxide)
Synonym
Varox 130XL
Synonym
Luperox XL 130
Synonym
Trigonox 145
Synonym
2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne
Synonym
2,5-Dimethyl-2,5-di(t-butylperoxy)hexyne-3
Synonym
Perhexyne 25B
Synonym
Perhexyne 25B40
Synonym
Perhexyne 2.5B40
Synonym
Kayahexa YD
Synonym
PX 1
Synonym
2,5-Dimethyl-2,5-bis(tert-butylperoxy)-3-hexyne
Synonym
Perhexyne 2.5B
Synonym
2,5-Dimethyl-2,5-bis(tert-butyldioxy)-3-hexyne
Synonym
Cab-O-Cure 2P
Synonym
Luperco 130XL
Synonym
Lupersol 130
Synonym
Luperox 130
Synonym
3,4,9,10-Tetraoxadodec-6-yne, 2,2,5,5,8,8,11,11-octamethyl-
Synonym
1,1′-(1,1,4,4-Tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl) peroxide]
Synonym
Peroxide, (tetramethyl-2-butynylene)bis[tert-butyl
Synonym
Peroxide, (1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[(1,1-dimethylethyl)
Synonym
Peroxide, (1,1,4,4-tetramethyl-2-butynylene)bis[tert-butyl
Synonym
Peroxide, 1,1′-(1,1,4,4-tetramethyl-2-butyne-1,4-diyl)bis[2-(1,1-dimethylethyl)
Synonym
Identifiers:
SMILES:
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 286.412 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 286.21440944 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 36.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.0404000000000035 | RDKit |
| molecular_mass | 286.41 g/mol | Legacy Database |
| density | 0.88 g/cm³ | Legacy Database |
| cas-boiling-point | 65-67 °C @ Press: 2 Torr None | Legacy Database |
| cas-canonical-smile | C(#CC(OOC(C)(C)C)(C)C)C(OOC(C)(C)C)(C)C None | Legacy Database |
| cas-density | 0.881 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=ODBCKCWTWALFKM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-3 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 79.78000000000006 | RDKit |