About tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium
tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium (PubChem CID 18368639) has the molecular formula C9H14ClO2V-
and a molecular weight of 240.61 g/mol. Its IUPAC name is tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium.
Molecular Properties
| Compound Name | tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium |
|---|
| PubChem CID | 18368639 |
|---|
| Molecular Formula | C9H14ClO2V- |
|---|
| Molecular Weight | 240.61 g/mol |
|---|
| Exact Mass | 240.01 |
|---|
| IUPAC Name | tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium |
|---|
| SMILES | CC(C)(C)OCl.O=[V].[C-]1=CC=CC1 |
|---|
| InChI | InChI=1S/C5H5.C4H9ClO.O.V/c1-2-4-5-3-1;1-4(2,3)6-5;;/h1-3H,4H2;1-3H3;;/q-1;;; |
|---|
| InChIKey | ASKTVMYFNGFGLR-UHFFFAOYSA-N |
|---|
| XLogP | 3.14 |
|---|
| TPSA | 26.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 13 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 240.61 |
| LogP ≤ 5 | 3.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium 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 tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium?
The IUPAC name of tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium (CID 18368639) is tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium.
What is the SMILES notation for tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium?
The canonical SMILES for tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium is CC(C)(C)OCl.O=[V].[C-]1=CC=CC1.
What is the InChIKey of tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium?
The InChIKey is ASKTVMYFNGFGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H9ClO.O.V/c1-2-4-5-3-1;1-4(2,3)6-5;;/h1-3H,4H2;1-3H3;;/q-1;;;.
What are the key properties of tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium?
tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium has a molecular weight of 240.61 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hypochlorite;cyclopenta-1,3-diene;oxovanadium is sourced from PubChem (CID 18368639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).