Chemical Name - 2-Ethyl Hexanol
Mol Weight - 130.23
Smiles - CCCCC(CC)CO
Mol Weight - 130.23
Smiles - CCCCC(CC)CO
| Property Value | |
| Mol Name | 2-Ethyl Hexanol |
| Molweight | 130.23 |
| Monoisotopic Mass | 130.135765 |
| Clogp | 2.5408 |
| Clogs | -1.987 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 125.67 |
| Relative Psa | 0.10424 |
| Polar Surface Area | 20.23 |
| Druglikeness | -9.5069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.71636 |
| Molecular Complexity | 0.48648 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Stereo Centers | 1 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 9 |
| Smiles | CCCCC(CC)CO |
| InChIKey | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 |
| InChI | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
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1 - 2-Ethyl Hexanol
2 - 2-Ethyl Hexanol
1 - 2-Ethyl Hexanol
2 - 2-Ethyl Hexanol
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