tris(but-3-en-2-one);tungsten

C12H18O3W — CID 54606302

IUPACtris(but-3-en-2-one);tungsten
SMILESC=CC(C)=O.C=CC(C)=O.C=CC(C)=O.[W]
InChIInChI=1S/3C4H6O.W/c3*1-3-4(2)5;/h3*3H,1H2,2H3;
InChIKeyONIJTUCMVAYUBD-UHFFFAOYSA-N
MW394.11 g/mol
LogP2.28
Rot. Bonds3

About tris(but-3-en-2-one);tungsten

tris(but-3-en-2-one);tungsten (PubChem CID 54606302) has the molecular formula C12H18O3W and a molecular weight of 394.11 g/mol. Its IUPAC name is tris(but-3-en-2-one);tungsten.

Molecular Properties

Compound Nametris(but-3-en-2-one);tungsten
PubChem CID54606302
Molecular FormulaC12H18O3W
Molecular Weight394.11 g/mol
Exact Mass394.08
IUPAC Nametris(but-3-en-2-one);tungsten
SMILESC=CC(C)=O.C=CC(C)=O.C=CC(C)=O.[W]
InChIInChI=1S/3C4H6O.W/c3*1-3-4(2)5;/h3*3H,1H2,2H3;
InChIKeyONIJTUCMVAYUBD-UHFFFAOYSA-N
XLogP2.28
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(but-3-en-2-one);tungsten?
The IUPAC name of tris(but-3-en-2-one);tungsten (CID 54606302) is tris(but-3-en-2-one);tungsten.
What is the SMILES notation for tris(but-3-en-2-one);tungsten?
The canonical SMILES for tris(but-3-en-2-one);tungsten is C=CC(C)=O.C=CC(C)=O.C=CC(C)=O.[W].
What is the InChIKey of tris(but-3-en-2-one);tungsten?
The InChIKey is ONIJTUCMVAYUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6O.W/c3*1-3-4(2)5;/h3*3H,1H2,2H3;.
What are the key properties of tris(but-3-en-2-one);tungsten?
tris(but-3-en-2-one);tungsten has a molecular weight of 394.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(but-3-en-2-one);tungsten is sourced from PubChem (CID 54606302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).