methanediol;tungsten

CH4O2W — CID 58612637

IUPACmethanediol;tungsten
SMILESOCO.[W]
InChIInChI=1S/CH4O2.W/c2-1-3;/h2-3H,1H2;
InChIKeyAKFLVLNYIJPJEA-UHFFFAOYSA-N
MW231.88 g/mol
LogP-1.07
Rot. Bonds

About methanediol;tungsten

methanediol;tungsten (PubChem CID 58612637) has the molecular formula CH4O2W and a molecular weight of 231.88 g/mol. Its IUPAC name is methanediol;tungsten.

Molecular Properties

Compound Namemethanediol;tungsten
PubChem CID58612637
Molecular FormulaCH4O2W
Molecular Weight231.88 g/mol
Exact Mass231.97
IUPAC Namemethanediol;tungsten
SMILESOCO.[W]
InChIInChI=1S/CH4O2.W/c2-1-3;/h2-3H,1H2;
InChIKeyAKFLVLNYIJPJEA-UHFFFAOYSA-N
XLogP-1.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.88
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanediol;tungsten?
The IUPAC name of methanediol;tungsten (CID 58612637) is methanediol;tungsten.
What is the SMILES notation for methanediol;tungsten?
The canonical SMILES for methanediol;tungsten is OCO.[W].
What is the InChIKey of methanediol;tungsten?
The InChIKey is AKFLVLNYIJPJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O2.W/c2-1-3;/h2-3H,1H2;.
What are the key properties of methanediol;tungsten?
methanediol;tungsten has a molecular weight of 231.88 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanediol;tungsten is sourced from PubChem (CID 58612637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).