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Molecule
1-Oxyl-2,2,6,6-Tetramethylpiperidin-4-Yl Sebacate
CAS: 2516-92-9 · C28H50N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2516-92-9
- Molecular Formula
- C28H50N2O6
- Molecular Mass
- 510.72 g/mol
Identifiers
CAS Registry Number
2516-92-9
SMILES
CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)[N+](=O)C(C)(C)C2)CC(C)(C)N1[O-]
InChI Key
XVJWWMHPPKXKRU-UHFFFAOYSA-N
InChI
InChI=1S/C28H50N2O6/c1-25(2)17-21(18-26(3,4)29(25)33)35-23(31)15-13-11-9-10-12-14-16-24(32)36-22-19-27(5,6)30(34)28(7,8)20-22/h21-22H,9-20H2,1-8H3
Names and Synonyms
- 1-Oxyl-2,2,6,6-Tetramethylpiperidin-4-Yl Sebacate Systematic Name
- 1-Piperidinyloxy, 4,4′-[(1,10-dioxo-1,10-decanediyl)bis(oxy)]bis[2,2,6,6-tetramethyl- Synonym
- Piperidinooxy, 4-hydroxy-2,2,6,6-tetramethyl-, sebacate (2:1) (ester) Synonym
- Piperidinooxy, 4-hydroxy-2,2,6,6-tetramethyl-, sebacate Synonym
- Sebacic acid, diester with 4-hydroxy-2,2,6,6-tetramethylpiperidinooxy Synonym
- 4,4′-[(1,10-Dioxo-1,10-decanediyl)bis(oxy)]bis[2,2,6,6-tetramethyl-1-piperidinyloxy] Synonym
- Bis(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl) sebacate Synonym
- Ciba 5415 Synonym
- Bis(2,2,6,6-tetramethylpiperidin-1-oxyl-4-yl) decanedioate Synonym
- Prostab 5415 Synonym
- CXA 5415 Synonym
- Bis(2,2,6,6-tetramethylpiperidin-1-oxyl-4-yl) sebacate Synonym
- MP 1002 Synonym
- Irgastab UV 10 Synonym
- Bis(2,2,6,6-tetramethylpiperidinoxy) sebacate Synonym
- EC 3314A Synonym
- 1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl sebacate Synonym
- B 5642 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 510.72 g/mol | CAS Common Chemistry |
| 510.7160000000003 g/mol | RDKit | |
| 510.716 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CC(N([O])C(C)(C)C1)(C)C)CCCCCCCCC(=O)OC2CC(N([O])C(C)(C)C2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H50N2O6/c1-25(2)17-21(18-26(3,4)29(25)33)35-23(31)15-13-11-9-10-12-14-16-24(32)36-22-19-27(5,6)30(34)28(7,8)20-22/h21-22H,9-20H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XVJWWMHPPKXKRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Oxyl-2,2,6,6-tetramethylpiperidin-4-yl sebacate | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 98.98 Ų | RDKit |
| 93.91 Ų | chempirical lib | |
| LogP | 6.211500000000007 | RDKit |
| 6.2115 | RDKit | |
| Molar Refractivity | 140.31339999999994 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9286 | RDKit |
| 0.93 | chempirical lib | |
| Exact Mass | 510.36688732 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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 = 510.72 g/mol. Edit any field — others recompute live.
