About 3-cyclopropylhexan-2-ylidenecyclopentane
3-cyclopropylhexan-2-ylidenecyclopentane (PubChem CID 123813212) has the molecular formula C14H24
and a molecular weight of 192.35 g/mol. Its IUPAC name is 3-cyclopropylhexan-2-ylidenecyclopentane.
Molecular Properties
| Compound Name | 3-cyclopropylhexan-2-ylidenecyclopentane |
| PubChem CID | 123813212 |
| Molecular Formula | C14H24 |
| Molecular Weight | 192.35 g/mol |
| Exact Mass | 192.19 |
| IUPAC Name | 3-cyclopropylhexan-2-ylidenecyclopentane |
| SMILES | CCCC(C(C)=C1CCCC1)C1CC1 |
| InChI | InChI=1S/C14H24/c1-3-6-14(13-9-10-13)11(2)12-7-4-5-8-12/h13-14H,3-10H2,1-2H3 |
| InChIKey | TVAYETHKRMHADU-UHFFFAOYSA-N |
| XLogP | 4.70 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 192.35 |
| LogP ≤ 5 | 4.70 |
| 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 3-cyclopropylhexan-2-ylidenecyclopentane?
The IUPAC name of 3-cyclopropylhexan-2-ylidenecyclopentane (CID 123813212) is 3-cyclopropylhexan-2-ylidenecyclopentane.
What is the SMILES notation for 3-cyclopropylhexan-2-ylidenecyclopentane?
The canonical SMILES for 3-cyclopropylhexan-2-ylidenecyclopentane is CCCC(C(C)=C1CCCC1)C1CC1.
What is the InChIKey of 3-cyclopropylhexan-2-ylidenecyclopentane?
The InChIKey is TVAYETHKRMHADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-6-14(13-9-10-13)11(2)12-7-4-5-8-12/h13-14H,3-10H2,1-2H3.
What are the key properties of 3-cyclopropylhexan-2-ylidenecyclopentane?
3-cyclopropylhexan-2-ylidenecyclopentane has a molecular weight of 192.35 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylhexan-2-ylidenecyclopentane is sourced from PubChem (CID 123813212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).