Back to Search
Molecule
Methyl 1,2,2,6,6-Pentamethyl-4-Piperidinyl Sebacate
CAS: 82919-37-7 · C21H39NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 82919-37-7
- Molecular Formula
- C21H39NO4
- Molecular Mass
- 369.55 g/mol
Identifiers
CAS Registry Number
82919-37-7
SMILES
COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChI Key
OTCWVYFQGYOYJO-UHFFFAOYSA-N
InChI
InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3
Names and Synonyms
- Methyl 1,2,2,6,6-Pentamethyl-4-Piperidinyl Sebacate Synonym
- Decanedioic acid, 1-methyl 10-(1,2,2,6,6-pentamethyl-4-piperidinyl) ester Synonym
- Decanedioic acid, methyl 1,2,2,6,6-pentamethyl-4-piperidinyl ester Synonym
- Methyl 1,2,2,6,6-pentamethyl-4-piperidinyl sebacate Synonym
- Methyl 1,2,2,6,6-pentamethyl-4-piperidiyl sebacate Synonym
- Methyl 1,2,2,6,6-pentamethyl-4-piperidyl sebacate Synonym
- BLS 292 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 369.55 g/mol | CAS Common Chemistry |
| 369.5460000000001 g/mol | RDKit | |
| 369.546 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)CCCCCCCCC(=O)OC1CC(N(C)C(C)(C)C1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OTCWVYFQGYOYJO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 1,2,2,6,6-pentamethyl-4-piperidinyl sebacate | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.84000000000001 Ų | RDKit |
| 55.84 Ų | RDKit | |
| 55.61 Ų | chempirical lib | |
| LogP | 4.4748000000000046 | RDKit |
| 4.4748 | RDKit | |
| Molar Refractivity | 103.98700000000008 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9048 | RDKit |
| 0.9 | chempirical lib | |
| Exact Mass | 369.28790872800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 369.55 g/mol. Edit any field — others recompute live.
