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Decanedioic Acid, 1,10-Bis(2,2,6,6-Tetramethyl-4-Piperidinyl) Ester, Reaction Products With Tert-Bu Hydroperoxide And Octane
CAS: 129757-67-1 | C40H80N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
129757-67-1
Molecular Formula:
C40H80N2O6
Molecular Mass:
685.09 g/mol
Names and Synonyms:
Decanedioic Acid, 1,10-Bis(2,2,6,6-Tetramethyl-4-Piperidinyl) Ester, Reaction Products With Tert-Bu Hydroperoxide And Octane
Decanedioic acid, 1,10-bis(2,2,6,6-tetramethyl-4-piperidinyl) ester, reaction products with tert-Bu hydroperoxide and octane
Decanedioic acid, bis(2,2,6,6-tetramethyl-4-piperidinyl) ester, reaction products with tert-Bu hydroperoxide and octane
Identifiers:
SMILES:
CC(C)(C)OO.CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CCCCCCCC
InChI:
InChI=1S/C28H52N2O4.C8H18.C4H10O2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-3-5-7-8-6-4-2;1-4(2,3)6-5/h21-22,29-30H,9-20H2,1-8H3;3-8H2,1-2H3;5H,1-3H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 685.09 g/mol | CAS Common Chemistry |
| 685.0879999999999 g/mol | RDKit | |
| 684.60163828 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CC(NC(C)(C)C1)(C)C)CCCCCCCCC(=O)OC2CC(NC(C)(C)C2)(C)C.OOC(C)(C)C.CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C28H52N2O4.C8H18.C4H10O2/c1-25(2)17-21(18-26(3,4)29-25)33-23(31)15-13-11-9-10-12-14-16-24(32)34-22-19-27(5,6)30-28(7,8)20-22;1-3-5-7-8-6-4-2;1-4(2,3)6-5/h21-22,29-30H,9-20H2,1-8H3;3-8H2,1-2H3;5H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FNRJJSFGQVCXEK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Decanedioic acid, 1,10-bis(2,2,6,6-tetramethyl-4-piperidinyl) ester, reaction products with tert-Bu hydroperoxide and octane | CAS Common Chemistry |
| Heavy Atom Count | 48 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.12 Ų | RDKit |
| LogP | 10.453299999999997 | RDKit |
| Molar Refractivity | 200.26819999999924 | RDKit |
