About 6-methyl-1-(1-methylsulfonylethyl)cyclohexene
6-methyl-1-(1-methylsulfonylethyl)cyclohexene (PubChem CID 118128797) has the molecular formula C10H18O2S
and a molecular weight of 202.32 g/mol. Its IUPAC name is 6-methyl-1-(1-methylsulfonylethyl)cyclohexene.
Molecular Properties
| Compound Name | 6-methyl-1-(1-methylsulfonylethyl)cyclohexene |
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| PubChem CID | 118128797 |
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| Molecular Formula | C10H18O2S |
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| Molecular Weight | 202.32 g/mol |
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| Exact Mass | 202.10 |
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| IUPAC Name | 6-methyl-1-(1-methylsulfonylethyl)cyclohexene |
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| SMILES | CC1CCCC=C1C(C)S(C)(=O)=O |
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| InChI | InChI=1S/C10H18O2S/c1-8-6-4-5-7-10(8)9(2)13(3,11)12/h7-9H,4-6H2,1-3H3 |
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| InChIKey | YGFROAPIRQSIMI-UHFFFAOYSA-N |
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| XLogP | 2.17 |
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| TPSA | 34.14 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 202.32 |
| LogP ≤ 5 | 2.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-methyl-1-(1-methylsulfonylethyl)cyclohexene?
The IUPAC name of 6-methyl-1-(1-methylsulfonylethyl)cyclohexene (CID 118128797) is 6-methyl-1-(1-methylsulfonylethyl)cyclohexene.
What is the SMILES notation for 6-methyl-1-(1-methylsulfonylethyl)cyclohexene?
The canonical SMILES for 6-methyl-1-(1-methylsulfonylethyl)cyclohexene is CC1CCCC=C1C(C)S(C)(=O)=O.
What is the InChIKey of 6-methyl-1-(1-methylsulfonylethyl)cyclohexene?
The InChIKey is YGFROAPIRQSIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-8-6-4-5-7-10(8)9(2)13(3,11)12/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methyl-1-(1-methylsulfonylethyl)cyclohexene?
6-methyl-1-(1-methylsulfonylethyl)cyclohexene has a molecular weight of 202.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(1-methylsulfonylethyl)cyclohexene is sourced from PubChem (CID 118128797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).