Mol Weight - 328.491
Smiles - CCCCCCCC(OCC(C)OC(CCCCCCC)=O)=O
| Property Name | Property Value |
| Mol Name | Propylene Glycol DiCaprylate |
| Molweight | 328.491 |
| Monoisotopic Mass | 328.26136 |
| Clogp | 5.9051 |
| Clogs | -4.408 |
| H Acceptors | 4 |
| Total Surface Area | 297.16 |
| Relative Psa | 0.15507 |
| Polar Surface Area | 52.6 |
| Druglikeness | -27.676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.86957 |
| Molecular Flexibility | 0.59653 |
| Molecular Complexity | 0.52337 |
| Fragments | 1 |
| Non H Atoms | 23 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Stereo Centers | 1 |
| Rotatable Bonds | 17 |
| Sp3 Atoms | 19 |
| Smiles | CCCCCCCC(OCC(C)OC(CCCCCCC)=O)=O |
| InChIKey | InChI=1S/C19H36O4/c1-4-6-8-10-12-14-18(20)22-16-17(3)23-19(21)15-13-11-9-7-5-2/h17H,4-16H2,1-3H3 |
| InChI | OVYMWJFNQQOJBU-UHFFFAOYSA-N |
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1 — Propylene Glycol DiCaprylate | 2 — Propylene Glycol DiCaprylate