dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol

C5H14O4V — CID 21481404

IUPACdihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO.O=[V](O)O
InChIInChI=1S/C5H12O.2H2O.O.V/c1-5(2,3)4-6;;;;/h6H,4H2,1-3H3;2*1H2;;/q;;;;+2/p-2
InChIKeySTMJOSYBDMPPDJ-UHFFFAOYSA-L
MW189.11 g/mol
LogP-0.21
Rot. Bonds

About dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol

dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol (PubChem CID 21481404) has the molecular formula C5H14O4V and a molecular weight of 189.11 g/mol. Its IUPAC name is dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Namedihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol
PubChem CID21481404
Molecular FormulaC5H14O4V
Molecular Weight189.11 g/mol
Exact Mass189.03
IUPAC Namedihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO.O=[V](O)O
InChIInChI=1S/C5H12O.2H2O.O.V/c1-5(2,3)4-6;;;;/h6H,4H2,1-3H3;2*1H2;;/q;;;;+2/p-2
InChIKeySTMJOSYBDMPPDJ-UHFFFAOYSA-L
XLogP-0.21
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol?
The IUPAC name of dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol (CID 21481404) is dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol.
What is the SMILES notation for dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol?
The canonical SMILES for dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol is CC(C)(C)CO.O=[V](O)O.
What is the InChIKey of dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol?
The InChIKey is STMJOSYBDMPPDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12O.2H2O.O.V/c1-5(2,3)4-6;;;;/h6H,4H2,1-3H3;2*1H2;;/q;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol?
dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol has a molecular weight of 189.11 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)vanadium;2,2-dimethylpropan-1-ol is sourced from PubChem (CID 21481404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).