butane;ethanone;tungsten;yttrium

C6H12OWY-2 — CID 158462675

IUPACbutane;ethanone;tungsten;yttrium
SMILESC[C-]=O.[CH2-]CCC.[W].[Y]
InChIInChI=1S/C4H9.C2H3O.W.Y/c1-3-4-2;1-2-3;;/h1,3-4H2,2H3;1H3;;/q2*-1;;
InChIKeyAVLDNSPPCLEKAA-UHFFFAOYSA-N
MW372.91 g/mol
LogP1.73
Rot. Bonds1

About butane;ethanone;tungsten;yttrium

butane;ethanone;tungsten;yttrium (PubChem CID 158462675) has the molecular formula C6H12OWY-2 and a molecular weight of 372.91 g/mol. Its IUPAC name is butane;ethanone;tungsten;yttrium.

Molecular Properties

Compound Namebutane;ethanone;tungsten;yttrium
PubChem CID158462675
Molecular FormulaC6H12OWY-2
Molecular Weight372.91 g/mol
Exact Mass372.95
IUPAC Namebutane;ethanone;tungsten;yttrium
SMILESC[C-]=O.[CH2-]CCC.[W].[Y]
InChIInChI=1S/C4H9.C2H3O.W.Y/c1-3-4-2;1-2-3;;/h1,3-4H2,2H3;1H3;;/q2*-1;;
InChIKeyAVLDNSPPCLEKAA-UHFFFAOYSA-N
XLogP1.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.91
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;ethanone;tungsten;yttrium?
The IUPAC name of butane;ethanone;tungsten;yttrium (CID 158462675) is butane;ethanone;tungsten;yttrium.
What is the SMILES notation for butane;ethanone;tungsten;yttrium?
The canonical SMILES for butane;ethanone;tungsten;yttrium is C[C-]=O.[CH2-]CCC.[W].[Y].
What is the InChIKey of butane;ethanone;tungsten;yttrium?
The InChIKey is AVLDNSPPCLEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.C2H3O.W.Y/c1-3-4-2;1-2-3;;/h1,3-4H2,2H3;1H3;;/q2*-1;;.
What are the key properties of butane;ethanone;tungsten;yttrium?
butane;ethanone;tungsten;yttrium has a molecular weight of 372.91 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethanone;tungsten;yttrium is sourced from PubChem (CID 158462675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).