Mol Weight - 240.079
Smiles - CC(C)(C1)OCCC1I
| Property Name | Property Value |
| Mol Name | 4-Iodo-2,2-dimethyl tetrahydro-2h-pyran |
| Molweight | 240.079 |
| Monoisotopic Mass | 240.001113 |
| Clogp | 2.1791 |
| Clogs | -1.798 |
| H Acceptors | 1 |
| Total Surface Area | 124.99 |
| Relative Psa | 0.080006 |
| Polar Surface Area | 9.23 |
| Druglikeness | -2.4029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Flexibility | 0.26967 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Stereo Centers | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 8 |
| Symmetric Atoms | 1 |
| Smiles | CC(C)(C1)OCCC1I |
| InChIKey | InChI=1S/C7H13IO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5H2,1-2H3 |
| InChI | CTPMPYIKWARWDI-UHFFFAOYSA-N |
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1 — 4-Iodo-2,2-dimethyl tetrahydro-2h-pyran | 2 — 4-Iodo-2,2-dimethyl tetrahydro-2h-pyran