97C
Summary
| Name: | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate |
| Formula: | C13 H26 O4 |
| Formal charge: | 0 |
| Formula weight: | 246.343 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(4R)-4-hydroxyhexyl]oxy}ethyl pentanoate |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{R})-4-oxidanylhexoxy]ethyl pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCCOCCCC(O)CC)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C13H26O4/c1-3-5-8-13(15)17-11-10-16-9-6-7-12(14)4-2/h12,14H,3-11H2,1-2H3/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | YLPZLGOYSCHQFQ-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC(=O)OCCOCCC[C@H](O)CC |
| SMILES | CACTVS | 3.385 | CCCCC(=O)OCCOCCC[CH](O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC(=O)OCCOCCC[C@@H](CC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(=O)OCCOCCCC(CC)O |
