Chemical Name - Iso-Pentane
Mol Weight - 72.1503
Smiles - CCC(C)C
Mol Weight - 72.1503
Smiles - CCC(C)C
| Property Value | |
| Mol Name | Iso-Pentane |
| Molweight | 72.1503 |
| Monoisotopic Mass | 72.0939 |
| Clogp | 2.1043 |
| Clogs | -1.684 |
| Total Surface Area | 76.54 |
| Druglikeness | -2.7601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.63571 |
| Molecular Complexity | 0.34657 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 1 |
| Smiles | CCC(C)C |
| InChIKey | InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3 |
| InChI | QWTDNUCVQCZILF-UHFFFAOYSA-N |
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1 - Iso-Pentane
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