[(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten

C40H102O6Si6W2 — CID 10975296

IUPAC[(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten
SMILESC/C=C/C=[W].CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.[W]
InChIInChI=1S/6C6H16OSi.C4H6.2W/c6*1-6(2,3)8(4,5)7;1-3-4-2;;/h6*7H,1-5H3;1,3-4H,2H3;;/b;;;;;;4-3+;;
InChIKeyWXNOGEPHAFHGOD-NGJXEQNTSA-N
MW1215.45 g/mol
LogP12.81
Rot. Bonds1

About [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten

[(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten (PubChem CID 10975296) has the molecular formula C40H102O6Si6W2 and a molecular weight of 1215.45 g/mol. Its IUPAC name is [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten.

Molecular Properties

Compound Name[(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten
PubChem CID10975296
Molecular FormulaC40H102O6Si6W2
Molecular Weight1215.45 g/mol
Exact Mass1214.53
IUPAC Name[(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten
SMILESC/C=C/C=[W].CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.[W]
InChIInChI=1S/6C6H16OSi.C4H6.2W/c6*1-6(2,3)8(4,5)7;1-3-4-2;;/h6*7H,1-5H3;1,3-4H,2H3;;/b;;;;;;4-3+;;
InChIKeyWXNOGEPHAFHGOD-NGJXEQNTSA-N
XLogP12.81
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.45
LogP ≤ 512.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten?
The IUPAC name of [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten (CID 10975296) is [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten.
What is the SMILES notation for [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten?
The canonical SMILES for [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten is C/C=C/C=[W].CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.CC(C)(C)[Si](C)(C)O.[W].
What is the InChIKey of [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten?
The InChIKey is WXNOGEPHAFHGOD-NGJXEQNTSA-N. The full InChI is InChI=1S/6C6H16OSi.C4H6.2W/c6*1-6(2,3)8(4,5)7;1-3-4-2;;/h6*7H,1-5H3;1,3-4H,2H3;;/b;;;;;;4-3+;;.
What are the key properties of [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten?
[(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten has a molecular weight of 1215.45 g/mol, XLogP of 12.81, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enylidene]tungsten;hexakis(tert-butyl-hydroxy-dimethylsilane);tungsten is sourced from PubChem (CID 10975296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).