About carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde
carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde (PubChem CID 11377165) has the molecular formula C35H34CrO8
and a molecular weight of 634.65 g/mol. Its IUPAC name is carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde.
Molecular Properties
| Compound Name | carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde |
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| PubChem CID | 11377165 |
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| Molecular Formula | C35H34CrO8 |
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| Molecular Weight | 634.65 g/mol |
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| Exact Mass | 634.17 |
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| IUPAC Name | carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde |
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| SMILES | COc1cc(C)cc2c(-c3c(C=O)cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr] |
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| InChI | InChI=1S/C32H34O5.3CO.Cr/c1-20(2)36-25-16-24(18-33)31(30(17-25)37-21(3)4)26-12-13-28(35-19-23-10-8-7-9-11-23)32-27(26)14-22(5)15-29(32)34-6;3*1-2;/h7-18,20-21H,19H2,1-6H3;;;; |
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| InChIKey | KRYGNOUBOHYOAX-UHFFFAOYSA-N |
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| XLogP | 7.67 |
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| TPSA | 113.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 44 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 634.65 |
| LogP ≤ 5 | 7.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
The IUPAC name of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde (CID 11377165) is carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde.
What is the SMILES notation for carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
The canonical SMILES for carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde is COc1cc(C)cc2c(-c3c(C=O)cc(OC(C)C)cc3OC(C)C)ccc(OCc3ccccc3)c12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
The InChIKey is KRYGNOUBOHYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O5.3CO.Cr/c1-20(2)36-25-16-24(18-33)31(30(17-25)37-21(3)4)26-12-13-28(35-19-23-10-8-7-9-11-23)32-27(26)14-22(5)15-29(32)34-6;3*1-2;/h7-18,20-21H,19H2,1-6H3;;;;.
What are the key properties of carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde?
carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde has a molecular weight of 634.65 g/mol, XLogP of 7.67, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-3,5-di(propan-2-yloxy)benzaldehyde is sourced from PubChem (CID 11377165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).