(3-methylidene-4-oxocyclopentylidene)tungsten

C6H6OW — CID 58793505

IUPAC(3-methylidene-4-oxocyclopentylidene)tungsten
SMILESC=C1CC(=[W])CC1=O
InChIInChI=1S/C6H6O.W/c1-5-3-2-4-6(5)7;/h1,3-4H2;
InChIKeyQAYBCHKGTFSBIR-UHFFFAOYSA-N
MW277.95 g/mol
LogP0.62
Rot. Bonds

About (3-methylidene-4-oxocyclopentylidene)tungsten

(3-methylidene-4-oxocyclopentylidene)tungsten (PubChem CID 58793505) has the molecular formula C6H6OW and a molecular weight of 277.95 g/mol. Its IUPAC name is (3-methylidene-4-oxocyclopentylidene)tungsten.

Molecular Properties

Compound Name(3-methylidene-4-oxocyclopentylidene)tungsten
PubChem CID58793505
Molecular FormulaC6H6OW
Molecular Weight277.95 g/mol
Exact Mass277.99
IUPAC Name(3-methylidene-4-oxocyclopentylidene)tungsten
SMILESC=C1CC(=[W])CC1=O
InChIInChI=1S/C6H6O.W/c1-5-3-2-4-6(5)7;/h1,3-4H2;
InChIKeyQAYBCHKGTFSBIR-UHFFFAOYSA-N
XLogP0.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.95
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylidene-4-oxocyclopentylidene)tungsten?
The IUPAC name of (3-methylidene-4-oxocyclopentylidene)tungsten (CID 58793505) is (3-methylidene-4-oxocyclopentylidene)tungsten.
What is the SMILES notation for (3-methylidene-4-oxocyclopentylidene)tungsten?
The canonical SMILES for (3-methylidene-4-oxocyclopentylidene)tungsten is C=C1CC(=[W])CC1=O.
What is the InChIKey of (3-methylidene-4-oxocyclopentylidene)tungsten?
The InChIKey is QAYBCHKGTFSBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.W/c1-5-3-2-4-6(5)7;/h1,3-4H2;.
What are the key properties of (3-methylidene-4-oxocyclopentylidene)tungsten?
(3-methylidene-4-oxocyclopentylidene)tungsten has a molecular weight of 277.95 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidene-4-oxocyclopentylidene)tungsten is sourced from PubChem (CID 58793505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).