About (4R,5R)-4,5-dimethylcyclohexene
(4R,5R)-4,5-dimethylcyclohexene (PubChem CID 58737284) has the molecular formula C8H14
and a molecular weight of 110.20 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethylcyclohexene.
Molecular Properties
| Compound Name | (4R,5R)-4,5-dimethylcyclohexene |
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| PubChem CID | 58737284 |
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| Molecular Formula | C8H14 |
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| Molecular Weight | 110.20 g/mol |
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| Exact Mass | 110.11 |
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| IUPAC Name | (4R,5R)-4,5-dimethylcyclohexene |
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| SMILES | C[C@@H]1CC=CC[C@H]1C |
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| InChI | InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1 |
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| InChIKey | FEYLYTBPPCYZLO-HTQZYQBOSA-N |
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| XLogP | 2.61 |
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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 | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 110.20 |
| LogP ≤ 5 | 2.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 (4R,5R)-4,5-dimethylcyclohexene?
The IUPAC name of (4R,5R)-4,5-dimethylcyclohexene (CID 58737284) is (4R,5R)-4,5-dimethylcyclohexene.
What is the SMILES notation for (4R,5R)-4,5-dimethylcyclohexene?
The canonical SMILES for (4R,5R)-4,5-dimethylcyclohexene is C[C@@H]1CC=CC[C@H]1C.
What is the InChIKey of (4R,5R)-4,5-dimethylcyclohexene?
The InChIKey is FEYLYTBPPCYZLO-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethylcyclohexene?
(4R,5R)-4,5-dimethylcyclohexene has a molecular weight of 110.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethylcyclohexene is sourced from PubChem (CID 58737284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).