About 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene
1,2-dimethyl-5-methylidenecyclopenta-1,3-diene (PubChem CID 18546580) has the molecular formula C8H10
and a molecular weight of 106.17 g/mol. Its IUPAC name is 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene.
Molecular Properties
| Compound Name | 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene |
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| PubChem CID | 18546580 |
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| Molecular Formula | C8H10 |
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| Molecular Weight | 106.17 g/mol |
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| Exact Mass | 106.08 |
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| IUPAC Name | 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene |
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| SMILES | C=C1C=CC(C)=C1C |
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| InChI | InChI=1S/C8H10/c1-6-4-5-7(2)8(6)3/h4-5H,1H2,2-3H3 |
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| InChIKey | JQJJVBLKRXSWNS-UHFFFAOYSA-N |
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| XLogP | 2.45 |
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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 | 106.17 |
| LogP ≤ 5 | 2.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene (CID 18546580) is 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene is C=C1C=CC(C)=C1C.
What is the InChIKey of 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
The InChIKey is JQJJVBLKRXSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-4-5-7(2)8(6)3/h4-5H,1H2,2-3H3.
What are the key properties of 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene?
1,2-dimethyl-5-methylidenecyclopenta-1,3-diene has a molecular weight of 106.17 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 18546580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).