2,2-Dimethylpropane-1,3-diol;hexanedioic acid
2,2-dimethylpropane-1,3-diol;hexanedioic acid
Also Known As: starbld0004843|Neopentyl glycol adipate|Poly(neopentyl glycol adipate)|Adipic acid-neopentyl glycol copolymer|Neopentyl glycol, adipic acid polymer|2,2-dimethylpropane-1,3-diol;hexanedioic acid|2,2-dimethylpropane-1,3-diol; hexanedioic acid|Hexanedioic acid x2,2-dimethyl-1,3-propanediol ester|hexanedioic acid- 2,2-dimethylpropane-1,3-diol(1:1)|Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol|Hexanedioic acid--2,2-dimethylpropane-1,3-diol (1/1)
| Molecular Formula | C11H22O6 |
|---|---|
| Molecular Weight | 250.14163 g/mol |
| LogP | 0.7132 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.14163 |
| Monoisotopic Mass | 250.14163 |
| Heavy Atoms | 17 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 3358-89-2 |
|---|---|
| SMILES | CC(C)(CO)CO.C(CCC(=O)O)CC(=O)O |
| InChIKey | YRTNMMLRBJMGJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylpropane-1,3-diol;hexanedioic acid (CAS 3358-89-2), with molecular formula C11H22O6 and molecular weight 250.14163 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol;hexanedioic acid.