ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane

C12H21O3W3-3 — CID 159571536

IUPACethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane
SMILESCC1OC(C)OC(C)O1.C[C-]=[W].C[C-]=[W].C[C-]=[W]
InChIInChI=1S/C6H12O3.3C2H3.3W/c1-4-7-5(2)9-6(3)8-4;3*1-2;;;/h4-6H,1-3H3;3*1H3;;;/q;3*-1;;;
InChIKeyWYHIHCRNSRJSOL-UHFFFAOYSA-N
MW764.82 g/mol
LogP1.78
Rot. Bonds

About ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane

ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane (PubChem CID 159571536) has the molecular formula C12H21O3W3-3 and a molecular weight of 764.82 g/mol. Its IUPAC name is ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane.

Molecular Properties

Compound Nameethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane
PubChem CID159571536
Molecular FormulaC12H21O3W3-3
Molecular Weight764.82 g/mol
Exact Mass765.00
IUPAC Nameethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane
SMILESCC1OC(C)OC(C)O1.C[C-]=[W].C[C-]=[W].C[C-]=[W]
InChIInChI=1S/C6H12O3.3C2H3.3W/c1-4-7-5(2)9-6(3)8-4;3*1-2;;;/h4-6H,1-3H3;3*1H3;;;/q;3*-1;;;
InChIKeyWYHIHCRNSRJSOL-UHFFFAOYSA-N
XLogP1.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500764.82
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane?
The IUPAC name of ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane (CID 159571536) is ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane.
What is the SMILES notation for ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane?
The canonical SMILES for ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane is CC1OC(C)OC(C)O1.C[C-]=[W].C[C-]=[W].C[C-]=[W].
What is the InChIKey of ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane?
The InChIKey is WYHIHCRNSRJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.3C2H3.3W/c1-4-7-5(2)9-6(3)8-4;3*1-2;;;/h4-6H,1-3H3;3*1H3;;;/q;3*-1;;;.
What are the key properties of ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane?
ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane has a molecular weight of 764.82 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenetungsten;2,4,6-trimethyl-1,3,5-trioxane is sourced from PubChem (CID 159571536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).