About 7-ethoxycyclohept-2-en-1-one
7-ethoxycyclohept-2-en-1-one (PubChem CID 139985470) has the molecular formula C9H14O2
and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-ethoxycyclohept-2-en-1-one.
Molecular Properties
| Compound Name | 7-ethoxycyclohept-2-en-1-one |
|---|
| PubChem CID | 139985470 |
|---|
| Molecular Formula | C9H14O2 |
|---|
| Molecular Weight | 154.21 g/mol |
|---|
| Exact Mass | 154.10 |
|---|
| IUPAC Name | 7-ethoxycyclohept-2-en-1-one |
|---|
| SMILES | CCOC1CCCC=CC1=O |
|---|
| InChI | InChI=1S/C9H14O2/c1-2-11-9-7-5-3-4-6-8(9)10/h4,6,9H,2-3,5,7H2,1H3 |
|---|
| InChIKey | YONCDYRZZLJZFI-UHFFFAOYSA-N |
|---|
| XLogP | 1.70 |
|---|
| TPSA | 26.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 11 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 154.21 |
| LogP ≤ 5 | 1.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze 7-ethoxycyclohept-2-en-1-one 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-ethoxycyclohept-2-en-1-one?
The IUPAC name of 7-ethoxycyclohept-2-en-1-one (CID 139985470) is 7-ethoxycyclohept-2-en-1-one.
What is the SMILES notation for 7-ethoxycyclohept-2-en-1-one?
The canonical SMILES for 7-ethoxycyclohept-2-en-1-one is CCOC1CCCC=CC1=O.
What is the InChIKey of 7-ethoxycyclohept-2-en-1-one?
The InChIKey is YONCDYRZZLJZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-9-7-5-3-4-6-8(9)10/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of 7-ethoxycyclohept-2-en-1-one?
7-ethoxycyclohept-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxycyclohept-2-en-1-one is sourced from PubChem (CID 139985470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).