About methane
methane (PubChem CID 162219706) has the molecular formula C53H212
and a molecular weight of 850.28 g/mol. Its IUPAC name is methane.
Molecular Properties
| Compound Name | methane |
|---|
| PubChem CID | 162219706 |
|---|
| Molecular Formula | C53H212 |
|---|
| Molecular Weight | 850.28 g/mol |
|---|
| Exact Mass | 849.66 |
|---|
| IUPAC Name | methane |
|---|
| 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 |
|---|
| InChI | InChI=1S/53CH4/h53*1H4 |
|---|
| InChIKey | ZTYKUKXIYOEBJS-UHFFFAOYSA-N |
|---|
| XLogP | 33.71 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 53 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 850.28 |
| LogP ≤ 5 | 33.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of methane?
The IUPAC name of methane (CID 162219706) is methane.
What is the SMILES notation for methane?
The canonical SMILES for methane 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.
What is the InChIKey of methane?
The InChIKey is ZTYKUKXIYOEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/53CH4/h53*1H4.
What are the key properties of methane?
methane has a molecular weight of 850.28 g/mol, XLogP of 33.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane is sourced from PubChem (CID 162219706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).