methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate
methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate
| Molecular Formula | C17H27NO4 |
|---|---|
| Molecular Weight | 309.4 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 59.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.194 |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 53206-82-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(C)C)OCC(CN(C)C)O)C(=O)OC |
| InChIKey | SCYNDZYCBJLQDA-UHFFFAOYSA-N |
📖 Product Overview
methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate (CAS: 53206-82-9) is a chemical compound with molecular formula C17H27NO4 and molecular weight 309.4 g/mol. Its IUPAC systematic name is methyl 2-[3-(dimethylamino)-2-hydroxypropoxy]-6-methyl-3-propan-2-ylbenzoate.
SCYNDZYCBJLQDA-UHFFFAOYSA-N.
SMILES: CC1=C(C(=C(C=C1)C(C)C)OCC(CN(C)C)O)C(=O)OC.
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