About methane;(tritium monohydride)
methane;(tritium monohydride) (PubChem CID 159863968) has the molecular formula C79H446
and a molecular weight of 1528.96 g/mol. Its IUPAC name is methane;(tritium monohydride).
Molecular Properties
| Compound Name | methane;(tritium monohydride) |
|---|
| PubChem CID | 159863968 |
|---|
| Molecular Formula | C79H446 |
|---|
| Molecular Weight | 1528.96 g/mol |
|---|
| Exact Mass | 1528.02 |
|---|
| IUPAC Name | methane;(tritium monohydride) |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H] |
|---|
| InChI | InChI=1S/79CH4.65H2/h79*1H4;65*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;65*1+2 |
|---|
| InChIKey | NRMRAEOTTHFDFP-OVBYNNGTSA-N |
|---|
| XLogP | 66.24 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 79 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1528.96 |
| LogP ≤ 5 | 66.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of methane;(tritium monohydride)?
The IUPAC name of methane;(tritium monohydride) (CID 159863968) is methane;(tritium monohydride).
What is the SMILES notation for methane;(tritium monohydride)?
The canonical SMILES for methane;(tritium monohydride) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].
What is the InChIKey of methane;(tritium monohydride)?
The InChIKey is NRMRAEOTTHFDFP-OVBYNNGTSA-N. The full InChI is InChI=1S/79CH4.65H2/h79*1H4;65*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;65*1+2.
What are the key properties of methane;(tritium monohydride)?
methane;(tritium monohydride) has a molecular weight of 1528.96 g/mol, XLogP of 66.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(tritium monohydride) is sourced from PubChem (CID 159863968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).