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Molecule
1,1-Bis(Tert-Butylperoxy)-3,3,5-Trimethylcyclohexane
CAS: 6731-36-8 · C17H34O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6731-36-8
- Molecular Formula
- C17H34O4
- Molecular Mass
- 302.46 g/mol
Identifiers
CAS Registry Number
6731-36-8
SMILES
CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1
InChI Key
NALFRYPTRXKZPN-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3
Names and Synonyms
- 1,1-Bis(Tert-Butylperoxy)-3,3,5-Trimethylcyclohexane Synonym
- Peroxide, 1,1′-(3,3,5-trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) Synonym
- Peroxide, (3,3,5-trimethylcyclohexylidene)bis[tert-butyl Synonym
- Peroxide, (3,3,5-trimethylcyclohexylidene)bis[(1,1-dimethylethyl) Synonym
- 1,1′-(3,3,5-Trimethylcyclohexylidene)bis[2-(1,1-dimethylethyl) peroxide] Synonym
- 1,1-Di-tert-butylperoxy-3,5,5-trimethylcyclohexane Synonym
- 3,3,5-Trimethyl-1,1-bis(tert-butylperoxy)cyclohexane Synonym
- 1,1-Bis(tert-butylperoxy)-3,5,5-trimethylcyclohexane Synonym
- 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane Synonym
- Trigonox 29B50 Synonym
- Lupersol 231 Synonym
- Trigonox 29/40 Synonym
- 1,1-Bis(tert-butyldioxy)-3,3,5-trimethylcyclohexane Synonym
- gem-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane Synonym
- Luperco 231XL Synonym
- 1,1-Di-tert-butylperoxy-3,3,5-trimethylcyclohexane Synonym
- Trigonox 29B75 Synonym
- gem-Di-tert-butylperoxy-3,3,5-trimethylcyclohexane Synonym
- Perhexa 3M Synonym
- Luperox 231 Synonym
- Luperco 231G Synonym
- Trigonox 29 Synonym
- Luperco 231XLP Synonym
- Varox 231XL Synonym
- Trigonox 29/40MB Synonym
- 1,1-Bis(tert-butyl)-3,3,5-trimethylcyclohexane peroxide Synonym
- 1,1-Di(t-butylperoxy)-3,3,5-trimethylcyclohexane Synonym
- Perhexa 3M40 Synonym
- Trigonox 29C75 Synonym
- Luperco 231G40 Synonym
- Tx 29 Synonym
- Trigonox 29B90 Synonym
- Lupersol 230XL Synonym
- Luperox 231-50 Synonym
- Interox TMCH 40IC Synonym
- Trigonox 29-40B-PD Synonym
- Luperox 231XL Synonym
- Lupersol L 231 Synonym
- Trigonox 29A Synonym
- Sanperox CY 1.1 Synonym
- TX 29B50 Synonym
- Link-Cup TMCH Synonym
- Luperox 231XL40SP Synonym
- USP 495D Synonym
- Varox 231 Synonym
- Varox 231XL40 Synonym
- Luperox 231P75 Synonym
- Perhexa 3M40V Synonym
- Trigonox 29-40B-GR Synonym
- TX 29/40 Synonym
- 1,1-Bis(tert-butyloxy-oxy)3,3,5-trimethylcyclohexane Synonym
- Irgacure 335 Synonym
- 1,2-tert-Butyl 3,3,5-trimethylcyclohexane peroxide Synonym
- 1,1-Di(di-tert-butyl peroxy)-3,3,5-trimethylcyclohexane Synonym
- TMCH Synonym
- 1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Synonym
- 3M Synonym
- 1,1-Bis(1,1-dimethylethylperoxy)-3,3,5-trimethylcyclohexane Synonym
- 1,1,5-Trimethyl-3,3-bis(tert-butylperoxy)cyclohexane Synonym
- Trigonox 29E90 Synonym
- Peroxan PK 295V Synonym
- Trigonox 29-40B-GR-E Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.46 g/mol | CAS Common Chemistry |
| 302.45500000000004 g/mol | RDKit | |
| 302.455 g/mol | RDKit | |
| Canonical SMILES | O(OC1(OOC(C)(C)C)CC(C)CC(C)(C)C1)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H34O4/c1-13-10-16(8,9)12-17(11-13,20-18-14(2,3)4)21-19-15(5,6)7/h13H,10-12H2,1-9H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NALFRYPTRXKZPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90 °C (decomp) | CAS Common Chemistry |
| Name | 1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 5.022300000000005 | RDKit |
| 5.0223 | RDKit | |
| 5.47 | chempirical lib | |
| Molar Refractivity | 83.37300000000008 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 302.245709568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 302.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C17H34O4.
