About ethane
ethane (PubChem CID 158108820) has the molecular formula C100H300
and a molecular weight of 1503.50 g/mol. Its IUPAC name is ethane.
Molecular Properties
| Compound Name | ethane |
|---|
| PubChem CID | 158108820 |
|---|
| Molecular Formula | C100H300 |
|---|
| Molecular Weight | 1503.50 g/mol |
|---|
| Exact Mass | 1502.35 |
|---|
| IUPAC Name | ethane |
|---|
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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/50C2H6/c50*1-2/h50*1-2H3 |
|---|
| InChIKey | FQEAIQUYQLDLAV-UHFFFAOYSA-N |
|---|
| XLogP | 51.31 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 100 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1503.50 |
| LogP ≤ 5 | 51.31 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of ethane?
The IUPAC name of ethane (CID 158108820) is ethane.
What is the SMILES notation for ethane?
The canonical SMILES for ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.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?
The InChIKey is FQEAIQUYQLDLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/50C2H6/c50*1-2/h50*1-2H3.
What are the key properties of ethane?
ethane has a molecular weight of 1503.50 g/mol, XLogP of 51.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane is sourced from PubChem (CID 158108820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).