Chemical Name - Tri Methyl Propanol
Mol Weight - 102.176
Smiles - CC(C)(C)CCO
Mol Weight - 102.176
Smiles - CC(C)(C)CCO
| Property Value | |
| Mol Name | Tri Methyl Propanol |
| Molweight | 102.176 |
| Monoisotopic Mass | 102.104465 |
| Clogp | 1.7434 |
| Clogs | -1.354 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 94.56 |
| Relative Psa | 0.13854 |
| Polar Surface Area | 20.23 |
| Druglikeness | -9.1574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.77485 |
| Molecular Complexity | 0.4621 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 2 |
| Smiles | CC(C)(C)CCO |
| InChIKey | InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3 |
| InChI | DUXCSEISVMREAX-UHFFFAOYSA-N |
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1 - Tri Methyl Propanol
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