About 2,6-dimethylspiro[3.3]heptane
2,6-dimethylspiro[3.3]heptane (PubChem CID 21304360) has the molecular formula C9H16
and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,6-dimethylspiro[3.3]heptane.
Molecular Properties
| Compound Name | 2,6-dimethylspiro[3.3]heptane |
|---|
| PubChem CID | 21304360 |
|---|
| Molecular Formula | C9H16 |
|---|
| Molecular Weight | 124.23 g/mol |
|---|
| Exact Mass | 124.13 |
|---|
| IUPAC Name | 2,6-dimethylspiro[3.3]heptane |
|---|
| SMILES | CC1CC2(C1)CC(C)C2 |
|---|
| InChI | InChI=1S/C9H16/c1-7-3-9(4-7)5-8(2)6-9/h7-8H,3-6H2,1-2H3 |
|---|
| InChIKey | XSMNCVPNJTZYQT-UHFFFAOYSA-N |
|---|
| XLogP | 2.83 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 9 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 124.23 |
| LogP ≤ 5 | 2.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Analyze 2,6-dimethylspiro[3.3]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 2,6-dimethylspiro[3.3]heptane?
The IUPAC name of 2,6-dimethylspiro[3.3]heptane (CID 21304360) is 2,6-dimethylspiro[3.3]heptane.
What is the SMILES notation for 2,6-dimethylspiro[3.3]heptane?
The canonical SMILES for 2,6-dimethylspiro[3.3]heptane is CC1CC2(C1)CC(C)C2.
What is the InChIKey of 2,6-dimethylspiro[3.3]heptane?
The InChIKey is XSMNCVPNJTZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7-3-9(4-7)5-8(2)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethylspiro[3.3]heptane?
2,6-dimethylspiro[3.3]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylspiro[3.3]heptane is sourced from PubChem (CID 21304360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).