dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol

C7H16O4V — CID 19770518

IUPACdihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1.O=[V](O)O
InChIInChI=1S/C7H14O.2H2O.O.V/c1-7(8)5-3-2-4-6-7;;;;/h8H,2-6H2,1H3;2*1H2;;/q;;;;+2/p-2
InChIKeyFEGALQPQBWCSME-UHFFFAOYSA-L
MW215.14 g/mol
LogP0.47
Rot. Bonds

About dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol

dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol (PubChem CID 19770518) has the molecular formula C7H16O4V and a molecular weight of 215.14 g/mol. Its IUPAC name is dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol.

Molecular Properties

Compound Namedihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
PubChem CID19770518
Molecular FormulaC7H16O4V
Molecular Weight215.14 g/mol
Exact Mass215.05
IUPAC Namedihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol
SMILESCC1(O)CCCCC1.O=[V](O)O
InChIInChI=1S/C7H14O.2H2O.O.V/c1-7(8)5-3-2-4-6-7;;;;/h8H,2-6H2,1H3;2*1H2;;/q;;;;+2/p-2
InChIKeyFEGALQPQBWCSME-UHFFFAOYSA-L
XLogP0.47
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol?
The IUPAC name of dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol (CID 19770518) is dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol.
What is the SMILES notation for dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol?
The canonical SMILES for dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol is CC1(O)CCCCC1.O=[V](O)O.
What is the InChIKey of dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol?
The InChIKey is FEGALQPQBWCSME-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H14O.2H2O.O.V/c1-7(8)5-3-2-4-6-7;;;;/h8H,2-6H2,1H3;2*1H2;;/q;;;;+2/p-2.
What are the key properties of dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol?
dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol has a molecular weight of 215.14 g/mol, XLogP of 0.47, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)vanadium;1-methylcyclohexan-1-ol is sourced from PubChem (CID 19770518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).