pentane-2,4-dione;tungsten

C5H7O2W- — CID 58916144

IUPACpentane-2,4-dione;tungsten
SMILES[CH2-]C(=O)CC(C)=O.[W]
InChIInChI=1S/C5H7O2.W/c1-4(6)3-5(2)7;/h1,3H2,2H3;/q-1;
InChIKeyYMNLDIUAAHWANG-UHFFFAOYSA-N
MW282.95 g/mol
LogP0.37
Rot. Bonds2

About pentane-2,4-dione;tungsten

pentane-2,4-dione;tungsten (PubChem CID 58916144) has the molecular formula C5H7O2W- and a molecular weight of 282.95 g/mol. Its IUPAC name is pentane-2,4-dione;tungsten.

Molecular Properties

Compound Namepentane-2,4-dione;tungsten
PubChem CID58916144
Molecular FormulaC5H7O2W-
Molecular Weight282.95 g/mol
Exact Mass283.00
IUPAC Namepentane-2,4-dione;tungsten
SMILES[CH2-]C(=O)CC(C)=O.[W]
InChIInChI=1S/C5H7O2.W/c1-4(6)3-5(2)7;/h1,3H2,2H3;/q-1;
InChIKeyYMNLDIUAAHWANG-UHFFFAOYSA-N
XLogP0.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentane-2,4-dione;tungsten?
The IUPAC name of pentane-2,4-dione;tungsten (CID 58916144) is pentane-2,4-dione;tungsten.
What is the SMILES notation for pentane-2,4-dione;tungsten?
The canonical SMILES for pentane-2,4-dione;tungsten is [CH2-]C(=O)CC(C)=O.[W].
What is the InChIKey of pentane-2,4-dione;tungsten?
The InChIKey is YMNLDIUAAHWANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O2.W/c1-4(6)3-5(2)7;/h1,3H2,2H3;/q-1;.
What are the key properties of pentane-2,4-dione;tungsten?
pentane-2,4-dione;tungsten has a molecular weight of 282.95 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,4-dione;tungsten is sourced from PubChem (CID 58916144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).