methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten

C13H24O2W2 — CID 159220306

IUPACmethane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
SMILESC.C.CCC(C)(C)c1cc(O)ccc1O.[W].[W]
InChIInChI=1S/C11H16O2.2CH4.2W/c1-4-11(2,3)9-7-8(12)5-6-10(9)13;;;;/h5-7,12-13H,4H2,1-3H3;2*1H4;;
InChIKeyLTZJQGKBJZHUMF-UHFFFAOYSA-N
MW580.01 g/mol
LogP4.05
Rot. Bonds2

About methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten

methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten (PubChem CID 159220306) has the molecular formula C13H24O2W2 and a molecular weight of 580.01 g/mol. Its IUPAC name is methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten.

Molecular Properties

Compound Namemethane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
PubChem CID159220306
Molecular FormulaC13H24O2W2
Molecular Weight580.01 g/mol
Exact Mass580.08
IUPAC Namemethane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
SMILESC.C.CCC(C)(C)c1cc(O)ccc1O.[W].[W]
InChIInChI=1S/C11H16O2.2CH4.2W/c1-4-11(2,3)9-7-8(12)5-6-10(9)13;;;;/h5-7,12-13H,4H2,1-3H3;2*1H4;;
InChIKeyLTZJQGKBJZHUMF-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.01
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten 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 methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten?
The IUPAC name of methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten (CID 159220306) is methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten.
What is the SMILES notation for methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten?
The canonical SMILES for methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten is C.C.CCC(C)(C)c1cc(O)ccc1O.[W].[W].
What is the InChIKey of methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten?
The InChIKey is LTZJQGKBJZHUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.2CH4.2W/c1-4-11(2,3)9-7-8(12)5-6-10(9)13;;;;/h5-7,12-13H,4H2,1-3H3;2*1H4;;.
What are the key properties of methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten?
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten has a molecular weight of 580.01 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten is sourced from PubChem (CID 159220306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).