NSC406627
16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid
Also Known As: 16-(2-Hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid|2-(2-Hydroperoxypropan-2-yl)-4b,8-dimethyl-4,4a,4b,5,6,7,8,8a,9,10-decahydro-3H-3,10a-epidioxyphenanthrene-8-carboxylic acid
CAS: 7501-47-5
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20422 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.20422 |
| Monoisotopic Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 7501-47-5 |
|---|---|
| SMILES | CC12CCCC(C1CCC34C2CC(C(=C3)C(C)(C)OO)OO4)(C)C(=O)O |
| InChIKey | HAPYGVXWHYQMIJ-UHFFFAOYSA-N |
Product Overview
NSC406627 (CAS 7501-47-5), with molecular formula C20H30O6 and molecular weight 366.20422 g/mol. IUPAC: 16-(2-hydroperoxypropan-2-yl)-5,9-dimethyl-13,14-dioxatetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
NSC406627 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »