About 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane
7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane (PubChem CID 11217645) has the molecular formula C14H16
and a molecular weight of 184.28 g/mol. Its IUPAC name is 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane.
Molecular Properties
| Compound Name | 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane |
| PubChem CID | 11217645 |
| Molecular Formula | C14H16 |
| Molecular Weight | 184.28 g/mol |
| Exact Mass | 184.13 |
| IUPAC Name | 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane |
| SMILES | C1CC12C(=C1C3(CC3)C13CC3)C21CC1 |
| InChI | InChI=1S/C14H16/c1-2-11(1)9(12(11)3-4-12)10-13(5-6-13)14(10)7-8-14/h1-8H2 |
| InChIKey | LJWIIKNUHZTHDT-UHFFFAOYSA-N |
| XLogP | 3.43 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 184.28 |
| LogP ≤ 5 | 3.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane?
The IUPAC name of 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane (CID 11217645) is 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane.
What is the SMILES notation for 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane?
The canonical SMILES for 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane is C1CC12C(=C1C3(CC3)C13CC3)C21CC1.
What is the InChIKey of 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane?
The InChIKey is LJWIIKNUHZTHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-2-11(1)9(12(11)3-4-12)10-13(5-6-13)14(10)7-8-14/h1-8H2.
What are the key properties of 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane?
7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane has a molecular weight of 184.28 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane is sourced from PubChem (CID 11217645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).