About (3S,5R)-3,5-dimethylcyclohexene
(3S,5R)-3,5-dimethylcyclohexene (PubChem CID 57350972) has the molecular formula C8H14
and a molecular weight of 110.20 g/mol. Its IUPAC name is (3S,5R)-3,5-dimethylcyclohexene.
Molecular Properties
| Compound Name | (3S,5R)-3,5-dimethylcyclohexene |
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| PubChem CID | 57350972 |
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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 | (3S,5R)-3,5-dimethylcyclohexene |
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| SMILES | C[C@@H]1CC=C[C@@H](C)C1 |
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| InChI | InChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1 |
|---|
| InChIKey | YACYBRMPSZPZDF-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 (3S,5R)-3,5-dimethylcyclohexene?
The IUPAC name of (3S,5R)-3,5-dimethylcyclohexene (CID 57350972) is (3S,5R)-3,5-dimethylcyclohexene.
What is the SMILES notation for (3S,5R)-3,5-dimethylcyclohexene?
The canonical SMILES for (3S,5R)-3,5-dimethylcyclohexene is C[C@@H]1CC=C[C@@H](C)C1.
What is the InChIKey of (3S,5R)-3,5-dimethylcyclohexene?
The InChIKey is YACYBRMPSZPZDF-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H14/c1-7-4-3-5-8(2)6-7/h3-4,7-8H,5-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3S,5R)-3,5-dimethylcyclohexene?
(3S,5R)-3,5-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 (3S,5R)-3,5-dimethylcyclohexene is sourced from PubChem (CID 57350972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).