pentakis(2-methyl-2-oxidooxypropane);vanadium

C20H45O10V-5 — CID 173092145

IUPACpentakis(2-methyl-2-oxidooxypropane);vanadium
SMILESCC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].[V]
InChIInChI=1S/5C4H10O2.V/c5*1-4(2,3)6-5;/h5*5H,1-3H3;/p-5
InChIKeyIDYWKAIFWQGFIX-UHFFFAOYSA-I
MW496.51 g/mol
LogP0.38
Rot. Bonds

About pentakis(2-methyl-2-oxidooxypropane);vanadium

pentakis(2-methyl-2-oxidooxypropane);vanadium (PubChem CID 173092145) has the molecular formula C20H45O10V-5 and a molecular weight of 496.51 g/mol. Its IUPAC name is pentakis(2-methyl-2-oxidooxypropane);vanadium.

Molecular Properties

Compound Namepentakis(2-methyl-2-oxidooxypropane);vanadium
PubChem CID173092145
Molecular FormulaC20H45O10V-5
Molecular Weight496.51 g/mol
Exact Mass496.25
IUPAC Namepentakis(2-methyl-2-oxidooxypropane);vanadium
SMILESCC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].[V]
InChIInChI=1S/5C4H10O2.V/c5*1-4(2,3)6-5;/h5*5H,1-3H3;/p-5
InChIKeyIDYWKAIFWQGFIX-UHFFFAOYSA-I
XLogP0.38
TPSA161.45 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 pentakis(2-methyl-2-oxidooxypropane);vanadium?
The IUPAC name of pentakis(2-methyl-2-oxidooxypropane);vanadium (CID 173092145) is pentakis(2-methyl-2-oxidooxypropane);vanadium.
What is the SMILES notation for pentakis(2-methyl-2-oxidooxypropane);vanadium?
The canonical SMILES for pentakis(2-methyl-2-oxidooxypropane);vanadium is CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].CC(C)(C)O[O-].[V].
What is the InChIKey of pentakis(2-methyl-2-oxidooxypropane);vanadium?
The InChIKey is IDYWKAIFWQGFIX-UHFFFAOYSA-I. The full InChI is InChI=1S/5C4H10O2.V/c5*1-4(2,3)6-5;/h5*5H,1-3H3;/p-5.
What are the key properties of pentakis(2-methyl-2-oxidooxypropane);vanadium?
pentakis(2-methyl-2-oxidooxypropane);vanadium has a molecular weight of 496.51 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(2-methyl-2-oxidooxypropane);vanadium is sourced from PubChem (CID 173092145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).