| CAS Number | 220179-70-4 |
| Catalog Number | AG007Q71(AGN-PC-043A5D) |
| Chemical Name | 1,3-di-tert-butyl cyclohexane-1,3-dicarboxylate |
| IUPAC Name | ditert-butyl cyclohexane-1,3-dicarboxylate |
| InChI | InChI=1S/C16H28O4/c1-15(2,3)19-13(17)11-8-7-9-12(10-11)14(18)20-16(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChI Key | UMYBJJQPKODXDD-UHFFFAOYSA-N |
| MDL Number | MFCD29762719 |
| Molecular Formula | C16H28O4 |
| Molecular Weight | 284.3911 |
| SMILES | CC(OC(C1CC(C(OC(C)(C)C)=O)CCC1)=O)(C)C |
| Synonyms | 220179-70-4,
1,3-DI-TERT-BUTYL CYCLOHEXANE-1,3-DICARBOXYLATE,
1,3-Cyclohexanedicarboxylic acid, bis(1,1-dimethylethyl) ester,
SCHEMBL1296378,
CTK0J6871,
DTXSID40634202,
di-tert-butyl cyclohexane-1,3-dicarboxylate,
1,3-Cyclohexanedicarboxylic acid di-tert-butyl ester,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.396g/mol |
| Monoisotopic Mass | 284.199g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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