About [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene
[(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene (PubChem CID 6711989) has the molecular formula C32H46O7
and a molecular weight of 542.71 g/mol. Its IUPAC name is [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene.
Molecular Properties
| Compound Name | [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene |
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| PubChem CID | 6711989 |
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| Molecular Formula | C32H46O7 |
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| Molecular Weight | 542.71 g/mol |
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| Exact Mass | 542.32 |
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| IUPAC Name | [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene |
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| SMILES | COCOC1CCCC[C@@]1(OCCOCCO[C@@]1(c2ccccc2)CCCC[C@H]1OCOC)c1ccccc1 |
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| InChI | InChI=1S/C32H46O7/c1-33-25-36-29-17-9-11-19-31(29,27-13-5-3-6-14-27)38-23-21-35-22-24-39-32(28-15-7-4-8-16-28)20-12-10-18-30(32)37-26-34-2/h3-8,13-16,29-30H,9-12,17-26H2,1-2H3/t29-,30?,31-,32-/m1/s1 |
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| InChIKey | OKOFNYZUBZALER-VZMZSXMMSA-N |
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| XLogP | 5.95 |
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| TPSA | 64.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 16 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 542.71 |
| LogP ≤ 5 | 5.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene?
The IUPAC name of [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene (CID 6711989) is [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene.
What is the SMILES notation for [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene?
The canonical SMILES for [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene is COCOC1CCCC[C@@]1(OCCOCCO[C@@]1(c2ccccc2)CCCC[C@H]1OCOC)c1ccccc1.
What is the InChIKey of [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene?
The InChIKey is OKOFNYZUBZALER-VZMZSXMMSA-N. The full InChI is InChI=1S/C32H46O7/c1-33-25-36-29-17-9-11-19-31(29,27-13-5-3-6-14-27)38-23-21-35-22-24-39-32(28-15-7-4-8-16-28)20-12-10-18-30(32)37-26-34-2/h3-8,13-16,29-30H,9-12,17-26H2,1-2H3/t29-,30?,31-,32-/m1/s1.
What are the key properties of [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene?
[(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene has a molecular weight of 542.71 g/mol, XLogP of 5.95, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene is sourced from PubChem (CID 6711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).