(6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten

C7H5O2W- — CID 59822820

IUPAC(6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten
SMILESO=C1C=C[C-]=C/C1=C/O.[W]
InChIInChI=1S/C7H5O2.W/c8-5-6-3-1-2-4-7(6)9;/h2-5,8H;/q-1;/b6-5-;
InChIKeyJEDMCLZTQBDBRA-YSMBQZINSA-N
MW304.96 g/mol
LogP0.92
Rot. Bonds

About (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten

(6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten (PubChem CID 59822820) has the molecular formula C7H5O2W- and a molecular weight of 304.96 g/mol. Its IUPAC name is (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten.

Molecular Properties

Compound Name(6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten
PubChem CID59822820
Molecular FormulaC7H5O2W-
Molecular Weight304.96 g/mol
Exact Mass304.98
IUPAC Name(6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten
SMILESO=C1C=C[C-]=C/C1=C/O.[W]
InChIInChI=1S/C7H5O2.W/c8-5-6-3-1-2-4-7(6)9;/h2-5,8H;/q-1;/b6-5-;
InChIKeyJEDMCLZTQBDBRA-YSMBQZINSA-N
XLogP0.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.96
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten?
The IUPAC name of (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten (CID 59822820) is (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten.
What is the SMILES notation for (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten?
The canonical SMILES for (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten is O=C1C=C[C-]=C/C1=C/O.[W].
What is the InChIKey of (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten?
The InChIKey is JEDMCLZTQBDBRA-YSMBQZINSA-N. The full InChI is InChI=1S/C7H5O2.W/c8-5-6-3-1-2-4-7(6)9;/h2-5,8H;/q-1;/b6-5-;.
What are the key properties of (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten?
(6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten has a molecular weight of 304.96 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(hydroxymethylidene)cyclohexa-2,4-dien-1-one;tungsten is sourced from PubChem (CID 59822820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).