About 1,1-dimethyl-2-pent-4-enylcyclopropane
1,1-dimethyl-2-pent-4-enylcyclopropane (PubChem CID 134864601) has the molecular formula C10H18
and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,1-dimethyl-2-pent-4-enylcyclopropane.
Molecular Properties
| Compound Name | 1,1-dimethyl-2-pent-4-enylcyclopropane |
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| PubChem CID | 134864601 |
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| Molecular Formula | C10H18 |
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| Molecular Weight | 138.25 g/mol |
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| Exact Mass | 138.14 |
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| IUPAC Name | 1,1-dimethyl-2-pent-4-enylcyclopropane |
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| SMILES | C=CCCCC1CC1(C)C |
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| InChI | InChI=1S/C10H18/c1-4-5-6-7-9-8-10(9,2)3/h4,9H,1,5-8H2,2-3H3 |
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| InChIKey | WQHKZHHKBXJRQN-UHFFFAOYSA-N |
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| XLogP | 3.39 |
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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 | 4 |
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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 |
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| MW ≤ 500 | 138.25 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,1-dimethyl-2-pent-4-enylcyclopropane?
The IUPAC name of 1,1-dimethyl-2-pent-4-enylcyclopropane (CID 134864601) is 1,1-dimethyl-2-pent-4-enylcyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-pent-4-enylcyclopropane?
The canonical SMILES for 1,1-dimethyl-2-pent-4-enylcyclopropane is C=CCCCC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-pent-4-enylcyclopropane?
The InChIKey is WQHKZHHKBXJRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-5-6-7-9-8-10(9,2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1,1-dimethyl-2-pent-4-enylcyclopropane?
1,1-dimethyl-2-pent-4-enylcyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-pent-4-enylcyclopropane is sourced from PubChem (CID 134864601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).