About Cyhexatin-d33
Cyhexatin-d33 (PubChem CID 169436884) has the molecular formula C18H35OSn
and a molecular weight of 419.39 g/mol.
Molecular Properties
| Compound Name | Cyhexatin-d33 |
|---|
| PubChem CID | 169436884 |
|---|
| Molecular Formula | C18H35OSn |
|---|
| Molecular Weight | 419.39 g/mol |
|---|
| Exact Mass | 420.38 |
|---|
| IUPAC Name | — |
|---|
| SMILES | O.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([Sn](C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C([2H])([2H])C1([2H])[2H] |
|---|
| InChI | InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/i3*1D,2D2,3D2,4D2,5D2,6D2;; |
|---|
| InChIKey | UGCNRZFAUBJVPT-ZDVKGWANSA-N |
|---|
| XLogP | 5.66 |
|---|
| TPSA | 31.50 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 20 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 419.39 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of Cyhexatin-d33?
The IUPAC name of Cyhexatin-d33 (CID 169436884) is not available.
What is the SMILES notation for Cyhexatin-d33?
The canonical SMILES for Cyhexatin-d33 is O.[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([Sn](C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C2([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of Cyhexatin-d33?
The InChIKey is UGCNRZFAUBJVPT-ZDVKGWANSA-N. The full InChI is InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/i3*1D,2D2,3D2,4D2,5D2,6D2;;.
What are the key properties of Cyhexatin-d33?
Cyhexatin-d33 has a molecular weight of 419.39 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Cyhexatin-d33 is sourced from PubChem (CID 169436884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).