Chemical Name - ISO Octane
Mol Weight - 114.231
Smiles - CC(C)CC(C)(C)C
Mol Weight - 114.231
Smiles - CC(C)CC(C)(C)C
| Property Value | |
| Mol Name | ISO Octane |
| Molweight | 114.231 |
| Monoisotopic Mass | 114.14085 |
| Clogp | 3.3428 |
| Clogs | -2.291 |
| Total Surface Area | 111.47 |
| Druglikeness | -7.5152 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.71169 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 3 |
| Smiles | CC(C)CC(C)(C)C |
| InChIKey | |
| InChI | C8H18 |
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1 - ISO Octane
2 - ISO Octane
1 - ISO Octane
2 - ISO Octane
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