methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten

C8H16O6W-6 — CID 139168543

IUPACmethanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten
SMILESCC(=O)/C=C(/C)[O-].C[O-].C[O-].C[O-].[O-2].[W]
InChIInChI=1S/C5H8O2.3CH3O.O.W/c1-4(6)3-5(2)7;3*1-2;;/h3,6H,1-2H3;3*1H3;;/q;3*-1;-2;/p-1/b4-3-;;;;;
InChIKeyQMZOPFGNZZRWLV-GLUPTGNJSA-M
MW392.05 g/mol
LogP-3.35
Rot. Bonds1

About methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten

methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten (PubChem CID 139168543) has the molecular formula C8H16O6W-6 and a molecular weight of 392.05 g/mol. Its IUPAC name is methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten.

Molecular Properties

Compound Namemethanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten
PubChem CID139168543
Molecular FormulaC8H16O6W-6
Molecular Weight392.05 g/mol
Exact Mass392.05
IUPAC Namemethanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten
SMILESCC(=O)/C=C(/C)[O-].C[O-].C[O-].C[O-].[O-2].[W]
InChIInChI=1S/C5H8O2.3CH3O.O.W/c1-4(6)3-5(2)7;3*1-2;;/h3,6H,1-2H3;3*1H3;;/q;3*-1;-2;/p-1/b4-3-;;;;;
InChIKeyQMZOPFGNZZRWLV-GLUPTGNJSA-M
XLogP-3.35
TPSA137.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 5-3.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten?
The IUPAC name of methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten (CID 139168543) is methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten.
What is the SMILES notation for methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten?
The canonical SMILES for methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten is CC(=O)/C=C(/C)[O-].C[O-].C[O-].C[O-].[O-2].[W].
What is the InChIKey of methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten?
The InChIKey is QMZOPFGNZZRWLV-GLUPTGNJSA-M. The full InChI is InChI=1S/C5H8O2.3CH3O.O.W/c1-4(6)3-5(2)7;3*1-2;;/h3,6H,1-2H3;3*1H3;;/q;3*-1;-2;/p-1/b4-3-;;;;;.
What are the key properties of methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten?
methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten has a molecular weight of 392.05 g/mol, XLogP of -3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;(Z)-4-oxopent-2-en-2-olate;oxygen(2-);tungsten is sourced from PubChem (CID 139168543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).