Chemical Name - Hexylene Glycol
Mol Weight - 118.175
Smiles - OCCCCCCO
Mol Weight - 118.175
Smiles - OCCCCCCO
| Property Value | |
| Mol Name | Hexylene Glycol |
| Molweight | 118.175 |
| Monoisotopic Mass | 118.09938 |
| Clogp | 0.9414 |
| Clogs | -1.05 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 108.76 |
| Relative Psa | 0.2409 |
| Polar Surface Area | 40.46 |
| Druglikeness | -17.249 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.59037 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 4 |
| Smiles | OCCCCCCO |
| InChIKey | InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2 |
| InChI | XXMIOPMDWAUFGU-UHFFFAOYSA-N |
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1 - Hexylene Glycol
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