About 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane
1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 59720829) has the molecular formula C23H36O3
and a molecular weight of 360.54 g/mol. Its IUPAC name is 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane.
Molecular Properties
| Compound Name | 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane |
|---|
| PubChem CID | 59720829 |
|---|
| Molecular Formula | C23H36O3 |
|---|
| Molecular Weight | 360.54 g/mol |
|---|
| Exact Mass | 360.27 |
|---|
| IUPAC Name | 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane |
|---|
| SMILES | CC12CC(C(C)(CC3CCC4OC4C3)C3CCCC4(C)OC34)CCC1O2 |
|---|
| InChI | InChI=1S/C23H36O3/c1-21(12-14-6-8-17-18(11-14)24-17,15-7-9-19-23(3,13-15)25-19)16-5-4-10-22(2)20(16)26-22/h14-20H,4-13H2,1-3H3 |
|---|
| InChIKey | GHVLFNFLCPMPTI-UHFFFAOYSA-N |
|---|
| XLogP | 4.87 |
|---|
| TPSA | 37.59 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 26 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 360.54 |
| LogP ≤ 5 | 4.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
|---|
Analyze 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]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 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane (CID 59720829) is 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane is CC12CC(C(C)(CC3CCC4OC4C3)C3CCCC4(C)OC34)CCC1O2.
What is the InChIKey of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is GHVLFNFLCPMPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O3/c1-21(12-14-6-8-17-18(11-14)24-17,15-7-9-19-23(3,13-15)25-19)16-5-4-10-22(2)20(16)26-22/h14-20H,4-13H2,1-3H3.
What are the key properties of 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane?
1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 360.54 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(6-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59720829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).