tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)

C9H14ClOV+ — CID 18368685

IUPACtert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)
SMILESCC(C)(C)OCl.[C-]1=CC=CC1.[V+2]
InChIInChI=1S/C5H5.C4H9ClO.V/c1-2-4-5-3-1;1-4(2,3)6-5;/h1-3H,4H2;1-3H3;/q-1;;+2
InChIKeyQYCRYOSJDVDLSZ-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.26
Rot. Bonds

About tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)

tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+) (PubChem CID 18368685) has the molecular formula C9H14ClOV+ and a molecular weight of 224.61 g/mol. Its IUPAC name is tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+).

Molecular Properties

Compound Nametert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)
PubChem CID18368685
Molecular FormulaC9H14ClOV+
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Nametert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)
SMILESCC(C)(C)OCl.[C-]1=CC=CC1.[V+2]
InChIInChI=1S/C5H5.C4H9ClO.V/c1-2-4-5-3-1;1-4(2,3)6-5;/h1-3H,4H2;1-3H3;/q-1;;+2
InChIKeyQYCRYOSJDVDLSZ-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+) 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;vanadium(2+)?
The IUPAC name of tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+) (CID 18368685) is tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+).
What is the SMILES notation for tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)?
The canonical SMILES for tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+) is CC(C)(C)OCl.[C-]1=CC=CC1.[V+2].
What is the InChIKey of tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)?
The InChIKey is QYCRYOSJDVDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H9ClO.V/c1-2-4-5-3-1;1-4(2,3)6-5;/h1-3H,4H2;1-3H3;/q-1;;+2.
What are the key properties of tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+)?
tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+) has a molecular weight of 224.61 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hypochlorite;cyclopenta-1,3-diene;vanadium(2+) is sourced from PubChem (CID 18368685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).