About 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium)
1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) (PubChem CID 59931449) has the molecular formula C30H47Y2-
and a molecular weight of 585.52 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium).
Molecular Properties
| Compound Name | 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) |
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| PubChem CID | 59931449 |
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| Molecular Formula | C30H47Y2- |
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| Molecular Weight | 585.52 g/mol |
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| Exact Mass | 585.18 |
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| IUPAC Name | 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) |
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| SMILES | Cc1[c-]c(C)cc(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)c1.[Y].[Y] |
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| InChI | InChI=1S/C30H47.2Y/c1-22-4-6-25(7-5-22)19-26-8-10-27(11-9-26)20-28-12-14-29(15-13-28)21-30-17-23(2)16-24(3)18-30;;/h17-18,22,25-29H,4-15,19-21H2,1-3H3;;/q-1;; |
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| InChIKey | KXWLILOJDDNJPQ-UHFFFAOYSA-N |
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| XLogP | 8.86 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 585.52 |
| LogP ≤ 5 | 8.86 |
| 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 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium)?
The IUPAC name of 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) (CID 59931449) is 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium).
What is the SMILES notation for 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium)?
The canonical SMILES for 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) is Cc1[c-]c(C)cc(CC2CCC(CC3CCC(CC4CCC(C)CC4)CC3)CC2)c1.[Y].[Y].
What is the InChIKey of 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium)?
The InChIKey is KXWLILOJDDNJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47.2Y/c1-22-4-6-25(7-5-22)19-26-8-10-27(11-9-26)20-28-12-14-29(15-13-28)21-30-17-23(2)16-24(3)18-30;;/h17-18,22,25-29H,4-15,19-21H2,1-3H3;;/q-1;;.
What are the key properties of 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium)?
1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) has a molecular weight of 585.52 g/mol, XLogP of 8.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene-2-ide;bis(yttrium) is sourced from PubChem (CID 59931449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).