About (acetonitrile);(dichloromethane)
(acetonitrile);(dichloromethane) (PubChem CID 173205533) has the molecular formula C150H250Cl100N50
and a molecular weight of 6299.30 g/mol. Its IUPAC name is (acetonitrile);(dichloromethane).
Molecular Properties
| Compound Name | (acetonitrile);(dichloromethane) |
|---|
| PubChem CID | 173205533 |
|---|
| Molecular Formula | C150H250Cl100N50 |
|---|
| Molecular Weight | 6299.30 g/mol |
|---|
| Exact Mass | 6249.00 |
|---|
| IUPAC Name | (acetonitrile);(dichloromethane) |
|---|
| SMILES | CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl |
|---|
| InChI | InChI=1S/50C2H3N.50CH2Cl2/c50*1-2-3;50*2-1-3/h50*1H3;50*1H2 |
|---|
| InChIKey | BITQJNUYPOFMFC-UHFFFAOYSA-N |
|---|
| XLogP | 97.57 |
|---|
| TPSA | 1189.50 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 50 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 300 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 6299.30 |
| LogP ≤ 5 | 97.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 50 |
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Frequently Asked Questions
What is the IUPAC name of (acetonitrile);(dichloromethane)?
The IUPAC name of (acetonitrile);(dichloromethane) (CID 173205533) is (acetonitrile);(dichloromethane).
What is the SMILES notation for (acetonitrile);(dichloromethane)?
The canonical SMILES for (acetonitrile);(dichloromethane) is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.ClCCl.
What is the InChIKey of (acetonitrile);(dichloromethane)?
The InChIKey is BITQJNUYPOFMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/50C2H3N.50CH2Cl2/c50*1-2-3;50*2-1-3/h50*1H3;50*1H2.
What are the key properties of (acetonitrile);(dichloromethane)?
(acetonitrile);(dichloromethane) has a molecular weight of 6299.30 g/mol, XLogP of 97.57, 0 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (acetonitrile);(dichloromethane) is sourced from PubChem (CID 173205533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).