About chromium;methane;bis(2-methylpropane);bis(2-methylpropane)
chromium;methane;bis(2-methylpropane);bis(2-methylpropane) (PubChem CID 159529015) has the molecular formula C18H44Cr
and a molecular weight of 312.55 g/mol. Its IUPAC name is chromium;methane;bis(2-methylpropane);bis(2-methylpropane).
Molecular Properties
| Compound Name | chromium;methane;bis(2-methylpropane);bis(2-methylpropane) |
|---|
| PubChem CID | 159529015 |
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| Molecular Formula | C18H44Cr |
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| Molecular Weight | 312.55 g/mol |
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| Exact Mass | 312.28 |
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| IUPAC Name | chromium;methane;bis(2-methylpropane);bis(2-methylpropane) |
|---|
| SMILES | C.C.C[C+](C)C.C[C+](C)C.C[C-](C)C.C[C-](C)C.[Cr] |
|---|
| InChI | InChI=1S/4C4H9.2CH4.Cr/c4*1-4(2)3;;;/h4*1-3H3;2*1H4;/q2*-1;2*+1;;; |
|---|
| InChIKey | LTOBGEZQGOCMIJ-UHFFFAOYSA-N |
|---|
| XLogP | 7.75 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 312.55 |
| LogP ≤ 5 | 7.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of chromium;methane;bis(2-methylpropane);bis(2-methylpropane)?
The IUPAC name of chromium;methane;bis(2-methylpropane);bis(2-methylpropane) (CID 159529015) is chromium;methane;bis(2-methylpropane);bis(2-methylpropane).
What is the SMILES notation for chromium;methane;bis(2-methylpropane);bis(2-methylpropane)?
The canonical SMILES for chromium;methane;bis(2-methylpropane);bis(2-methylpropane) is C.C.C[C+](C)C.C[C+](C)C.C[C-](C)C.C[C-](C)C.[Cr].
What is the InChIKey of chromium;methane;bis(2-methylpropane);bis(2-methylpropane)?
The InChIKey is LTOBGEZQGOCMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H9.2CH4.Cr/c4*1-4(2)3;;;/h4*1-3H3;2*1H4;/q2*-1;2*+1;;;.
What are the key properties of chromium;methane;bis(2-methylpropane);bis(2-methylpropane)?
chromium;methane;bis(2-methylpropane);bis(2-methylpropane) has a molecular weight of 312.55 g/mol, XLogP of 7.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;methane;bis(2-methylpropane);bis(2-methylpropane) is sourced from PubChem (CID 159529015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).