tris(buta-1,3-diene);tungsten

C12H18W — CID 12747988

IUPACtris(buta-1,3-diene);tungsten
SMILESC=CC=C.C=CC=C.C=CC=C.[W]
InChIInChI=1S/3C4H6.W/c3*1-3-4-2;/h3*3-4H,1-2H2;
InChIKeyKXWCROXYUZCPOE-UHFFFAOYSA-N
MW346.12 g/mol
LogP4.07
Rot. Bonds3

About tris(buta-1,3-diene);tungsten

tris(buta-1,3-diene);tungsten (PubChem CID 12747988) has the molecular formula C12H18W and a molecular weight of 346.12 g/mol. Its IUPAC name is tris(buta-1,3-diene);tungsten.

Molecular Properties

Compound Nametris(buta-1,3-diene);tungsten
PubChem CID12747988
Molecular FormulaC12H18W
Molecular Weight346.12 g/mol
Exact Mass346.09
IUPAC Nametris(buta-1,3-diene);tungsten
SMILESC=CC=C.C=CC=C.C=CC=C.[W]
InChIInChI=1S/3C4H6.W/c3*1-3-4-2;/h3*3-4H,1-2H2;
InChIKeyKXWCROXYUZCPOE-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.12
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(buta-1,3-diene);tungsten?
The IUPAC name of tris(buta-1,3-diene);tungsten (CID 12747988) is tris(buta-1,3-diene);tungsten.
What is the SMILES notation for tris(buta-1,3-diene);tungsten?
The canonical SMILES for tris(buta-1,3-diene);tungsten is C=CC=C.C=CC=C.C=CC=C.[W].
What is the InChIKey of tris(buta-1,3-diene);tungsten?
The InChIKey is KXWCROXYUZCPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H6.W/c3*1-3-4-2;/h3*3-4H,1-2H2;.
What are the key properties of tris(buta-1,3-diene);tungsten?
tris(buta-1,3-diene);tungsten has a molecular weight of 346.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(buta-1,3-diene);tungsten is sourced from PubChem (CID 12747988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).