About cyclopenta-1,3-diene;prop-1-ene
cyclopenta-1,3-diene;prop-1-ene (PubChem CID 21266721) has the molecular formula C8H12
and a molecular weight of 108.18 g/mol. Its IUPAC name is cyclopenta-1,3-diene;prop-1-ene.
Molecular Properties
| Compound Name | cyclopenta-1,3-diene;prop-1-ene |
|---|
| PubChem CID | 21266721 |
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| Molecular Formula | C8H12 |
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| Molecular Weight | 108.18 g/mol |
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| Exact Mass | 108.09 |
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| IUPAC Name | cyclopenta-1,3-diene;prop-1-ene |
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| SMILES | C1=CCC=C1.C=CC |
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| InChI | InChI=1S/C5H6.C3H6/c1-2-4-5-3-1;1-3-2/h1-4H,5H2;3H,1H2,2H3 |
|---|
| InChIKey | UUEKSRXZPGZUMC-UHFFFAOYSA-N |
|---|
| XLogP | 2.69 |
|---|
| 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 | 108.18 |
| LogP ≤ 5 | 2.69 |
| 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 cyclopenta-1,3-diene;prop-1-ene?
The IUPAC name of cyclopenta-1,3-diene;prop-1-ene (CID 21266721) is cyclopenta-1,3-diene;prop-1-ene.
What is the SMILES notation for cyclopenta-1,3-diene;prop-1-ene?
The canonical SMILES for cyclopenta-1,3-diene;prop-1-ene is C1=CCC=C1.C=CC.
What is the InChIKey of cyclopenta-1,3-diene;prop-1-ene?
The InChIKey is UUEKSRXZPGZUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.C3H6/c1-2-4-5-3-1;1-3-2/h1-4H,5H2;3H,1H2,2H3.
What are the key properties of cyclopenta-1,3-diene;prop-1-ene?
cyclopenta-1,3-diene;prop-1-ene has a molecular weight of 108.18 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;prop-1-ene is sourced from PubChem (CID 21266721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).