About CID 158094390
CID 158094390 (PubChem CID 158094390) has the molecular formula H60
and a molecular weight of 117.83 g/mol.
Molecular Properties
| Compound Name | CID 158094390 |
|---|
| PubChem CID | 158094390 |
|---|
| Molecular Formula | H60 |
|---|
| Molecular Weight | 117.83 g/mol |
|---|
| Exact Mass | 117.83 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H] |
|---|
| InChI | InChI=1S/30H2/h30*1H/i27*1+1D;3*1+1 |
|---|
| InChIKey | FOMMPHPNTPZBJU-OCTOKLPSSA-N |
|---|
| XLogP | 7.38 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 117.83 |
| LogP ≤ 5 | 7.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of CID 158094390?
The IUPAC name of CID 158094390 (CID 158094390) is not available.
What is the SMILES notation for CID 158094390?
The canonical SMILES for CID 158094390 is [2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[2H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of CID 158094390?
The InChIKey is FOMMPHPNTPZBJU-OCTOKLPSSA-N. The full InChI is InChI=1S/30H2/h30*1H/i27*1+1D;3*1+1.
What are the key properties of CID 158094390?
CID 158094390 has a molecular weight of 117.83 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158094390 is sourced from PubChem (CID 158094390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).