About 1,2-dimethyl-3-prop-2-enylcyclopropane
1,2-dimethyl-3-prop-2-enylcyclopropane (PubChem CID 123473491) has the molecular formula C8H14
and a molecular weight of 110.20 g/mol. Its IUPAC name is 1,2-dimethyl-3-prop-2-enylcyclopropane.
Molecular Properties
| Compound Name | 1,2-dimethyl-3-prop-2-enylcyclopropane |
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| PubChem CID | 123473491 |
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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 | 1,2-dimethyl-3-prop-2-enylcyclopropane |
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| SMILES | C=CCC1C(C)C1C |
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| InChI | InChI=1S/C8H14/c1-4-5-8-6(2)7(8)3/h4,6-8H,1,5H2,2-3H3 |
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| InChIKey | FYXQVZIJFFSNGJ-UHFFFAOYSA-N |
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| XLogP | 2.46 |
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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 | 2 |
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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 |
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| MW ≤ 500 | 110.20 |
| LogP ≤ 5 | 2.46 |
| 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 1,2-dimethyl-3-prop-2-enylcyclopropane?
The IUPAC name of 1,2-dimethyl-3-prop-2-enylcyclopropane (CID 123473491) is 1,2-dimethyl-3-prop-2-enylcyclopropane.
What is the SMILES notation for 1,2-dimethyl-3-prop-2-enylcyclopropane?
The canonical SMILES for 1,2-dimethyl-3-prop-2-enylcyclopropane is C=CCC1C(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-prop-2-enylcyclopropane?
The InChIKey is FYXQVZIJFFSNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-5-8-6(2)7(8)3/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1,2-dimethyl-3-prop-2-enylcyclopropane?
1,2-dimethyl-3-prop-2-enylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-prop-2-enylcyclopropane is sourced from PubChem (CID 123473491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).