About 1-methyl-4-propan-2-ylcyclohexane
1-methyl-4-propan-2-ylcyclohexane (PubChem CID 7459) has the molecular formula C10H20
and a molecular weight of 140.27 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylcyclohexane.
Molecular Properties
| Compound Name | 1-methyl-4-propan-2-ylcyclohexane |
|---|
| PubChem CID | 7459 |
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| Molecular Formula | C10H20 |
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| Molecular Weight | 140.27 g/mol |
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| Exact Mass | 140.16 |
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| IUPAC Name | 1-methyl-4-propan-2-ylcyclohexane |
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| SMILES | CC(C)[C@H]1CC[C@@H](C)CC1 |
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| InChI | InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3/t9-,10+ |
|---|
| InChIKey | CFJYNSNXFXLKNS-AOOOYVTPSA-N |
|---|
| XLogP | 3.47 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 140.27 |
| LogP ≤ 5 | 3.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of 1-methyl-4-propan-2-ylcyclohexane (CID 7459) is 1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for 1-methyl-4-propan-2-ylcyclohexane is CC(C)[C@H]1CC[C@@H](C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is CFJYNSNXFXLKNS-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3/t9-,10+.
What are the key properties of 1-methyl-4-propan-2-ylcyclohexane?
1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 7459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).