3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))

C17H26O6W3 — CID 158556852

IUPAC3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))
SMILESCC(=O)C(C(C)=O)C(C)=O.C[C-]=O.C[C-]=O.C[C-]=O.[CH2-]C([CH2-])[CH2-].[W+2].[W+2].[W+2]
InChIInChI=1S/C7H10O3.C4H7.3C2H3O.3W/c1-4(8)7(5(2)9)6(3)10;1-4(2)3;3*1-2-3;;;/h7H,1-3H3;4H,1-3H2;3*1H3;;;/q;-3;3*-1;3*+2
InChIKeyDSPPWYIIPRTYAL-UHFFFAOYSA-N
MW877.91 g/mol
LogP1.81
Rot. Bonds3

About 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))

3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)) (PubChem CID 158556852) has the molecular formula C17H26O6W3 and a molecular weight of 877.91 g/mol. Its IUPAC name is 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)).

Molecular Properties

Compound Name3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))
PubChem CID158556852
Molecular FormulaC17H26O6W3
Molecular Weight877.91 g/mol
Exact Mass878.03
IUPAC Name3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))
SMILESCC(=O)C(C(C)=O)C(C)=O.C[C-]=O.C[C-]=O.C[C-]=O.[CH2-]C([CH2-])[CH2-].[W+2].[W+2].[W+2]
InChIInChI=1S/C7H10O3.C4H7.3C2H3O.3W/c1-4(8)7(5(2)9)6(3)10;1-4(2)3;3*1-2-3;;;/h7H,1-3H3;4H,1-3H2;3*1H3;;;/q;-3;3*-1;3*+2
InChIKeyDSPPWYIIPRTYAL-UHFFFAOYSA-N
XLogP1.81
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500877.91
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-acetylpentane-2,4-dione;hafnium
CID 87389102
copper(1+);ethanone;propan-2-one
CID 87381643
3-acetylpentane-2,4-dione;propane;titanium(2+)
CID 87128903
3-acetylpentane-2,4-dione;bis(propan-1-ol);titanium
CID 159267821
acetic acid;ethanone;2-methylpropan-1-one;silver
CID 146467097
copper;ethane;ethanone;acetate
CID 23159113
3-acetylpentane-2,4-dione;alumane;ethyl 3-oxobutanoate
CID 174627207
3-ethanethioylpentane-2,4-dione
CID 23346848
2-acetyl-3-oxobutanoic acid;hydrate
CID 162326533
3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine
CID 175602645
chromium(3+);ethane;ethanone
CID 174976009
ethane;ethanone;palladium
CID 88825690

Frequently Asked Questions

What is the IUPAC name of 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))?
The IUPAC name of 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)) (CID 158556852) is 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)).
What is the SMILES notation for 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))?
The canonical SMILES for 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)) is CC(=O)C(C(C)=O)C(C)=O.C[C-]=O.C[C-]=O.C[C-]=O.[CH2-]C([CH2-])[CH2-].[W+2].[W+2].[W+2].
What is the InChIKey of 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))?
The InChIKey is DSPPWYIIPRTYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H7.3C2H3O.3W/c1-4(8)7(5(2)9)6(3)10;1-4(2)3;3*1-2-3;;;/h7H,1-3H3;4H,1-3H2;3*1H3;;;/q;-3;3*-1;3*+2.
What are the key properties of 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))?
3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)) has a molecular weight of 877.91 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+)) is sourced from PubChem (CID 158556852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).