dioxovanadium;3-(hydroperoxymethyl)pentane

C6H14O4V — CID 88612947

IUPACdioxovanadium;3-(hydroperoxymethyl)pentane
SMILESCCC(CC)COO.O=[V]=O
InChIInChI=1S/C6H14O2.2O.V/c1-3-6(4-2)5-8-7;;;/h6-7H,3-5H2,1-2H3;;;
InChIKeyOOHVYJNGIIFWTK-UHFFFAOYSA-N
MW201.12 g/mol
LogP1.67
Rot. Bonds4

About dioxovanadium;3-(hydroperoxymethyl)pentane

dioxovanadium;3-(hydroperoxymethyl)pentane (PubChem CID 88612947) has the molecular formula C6H14O4V and a molecular weight of 201.12 g/mol. Its IUPAC name is dioxovanadium;3-(hydroperoxymethyl)pentane.

Molecular Properties

Compound Namedioxovanadium;3-(hydroperoxymethyl)pentane
PubChem CID88612947
Molecular FormulaC6H14O4V
Molecular Weight201.12 g/mol
Exact Mass201.03
IUPAC Namedioxovanadium;3-(hydroperoxymethyl)pentane
SMILESCCC(CC)COO.O=[V]=O
InChIInChI=1S/C6H14O2.2O.V/c1-3-6(4-2)5-8-7;;;/h6-7H,3-5H2,1-2H3;;;
InChIKeyOOHVYJNGIIFWTK-UHFFFAOYSA-N
XLogP1.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxovanadium;3-(hydroperoxymethyl)pentane?
The IUPAC name of dioxovanadium;3-(hydroperoxymethyl)pentane (CID 88612947) is dioxovanadium;3-(hydroperoxymethyl)pentane.
What is the SMILES notation for dioxovanadium;3-(hydroperoxymethyl)pentane?
The canonical SMILES for dioxovanadium;3-(hydroperoxymethyl)pentane is CCC(CC)COO.O=[V]=O.
What is the InChIKey of dioxovanadium;3-(hydroperoxymethyl)pentane?
The InChIKey is OOHVYJNGIIFWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.2O.V/c1-3-6(4-2)5-8-7;;;/h6-7H,3-5H2,1-2H3;;;.
What are the key properties of dioxovanadium;3-(hydroperoxymethyl)pentane?
dioxovanadium;3-(hydroperoxymethyl)pentane has a molecular weight of 201.12 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxovanadium;3-(hydroperoxymethyl)pentane is sourced from PubChem (CID 88612947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).