About ethane;methane
ethane;methane (PubChem CID 157303313) has the molecular formula C53H168
and a molecular weight of 805.93 g/mol. Its IUPAC name is ethane;methane.
Molecular Properties
| Compound Name | ethane;methane |
|---|
| PubChem CID | 157303313 |
|---|
| Molecular Formula | C53H168 |
|---|
| Molecular Weight | 805.93 g/mol |
|---|
| Exact Mass | 805.31 |
|---|
| IUPAC Name | ethane;methane |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC |
|---|
| InChI | InChI=1S/22C2H6.9CH4/c22*1-2;;;;;;;;;/h22*1-2H3;9*1H4 |
|---|
| InChIKey | BCDSCXLOGVYGDJ-UHFFFAOYSA-N |
|---|
| XLogP | 28.30 |
|---|
| 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 | 805.93 |
| LogP ≤ 5 | 28.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze ethane;methane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of ethane;methane?
The IUPAC name of ethane;methane (CID 157303313) is ethane;methane.
What is the SMILES notation for ethane;methane?
The canonical SMILES for ethane;methane is C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;methane?
The InChIKey is BCDSCXLOGVYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/22C2H6.9CH4/c22*1-2;;;;;;;;;/h22*1-2H3;9*1H4.
What are the key properties of ethane;methane?
ethane;methane has a molecular weight of 805.93 g/mol, XLogP of 28.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane is sourced from PubChem (CID 157303313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).