About cis-(1S,2R)-1,2-dimethylcyclobutane
cis-(1S,2R)-1,2-dimethylcyclobutane (PubChem CID 15921794) has the molecular formula C6H12
and a molecular weight of 84.16 g/mol. Its IUPAC name is cis-(1S,2R)-1,2-dimethylcyclobutane.
Molecular Properties
| Compound Name | cis-(1S,2R)-1,2-dimethylcyclobutane |
|---|
| PubChem CID | 15921794 |
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| Molecular Formula | C6H12 |
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| Molecular Weight | 84.16 g/mol |
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| Exact Mass | 84.09 |
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| IUPAC Name | cis-(1S,2R)-1,2-dimethylcyclobutane |
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| SMILES | C[C@@H]1CC[C@@H]1C |
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| InChI | InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+ |
|---|
| InChIKey | IVAGOJQDJFWIRT-OLQVQODUSA-N |
|---|
| XLogP | 2.05 |
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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 | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 84.16 |
| LogP ≤ 5 | 2.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of cis-(1S,2R)-1,2-dimethylcyclobutane?
The IUPAC name of cis-(1S,2R)-1,2-dimethylcyclobutane (CID 15921794) is cis-(1S,2R)-1,2-dimethylcyclobutane.
What is the SMILES notation for cis-(1S,2R)-1,2-dimethylcyclobutane?
The canonical SMILES for cis-(1S,2R)-1,2-dimethylcyclobutane is C[C@@H]1CC[C@@H]1C.
What is the InChIKey of cis-(1S,2R)-1,2-dimethylcyclobutane?
The InChIKey is IVAGOJQDJFWIRT-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of cis-(1S,2R)-1,2-dimethylcyclobutane?
cis-(1S,2R)-1,2-dimethylcyclobutane has a molecular weight of 84.16 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1,2-dimethylcyclobutane is sourced from PubChem (CID 15921794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).