molybdenum(4+);tetrakis(pentane-2,4-dione)

C20H32MoO8+4 — CID 11705952

IUPACmolybdenum(4+);tetrakis(pentane-2,4-dione)
SMILESCC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.[Mo+4]
InChIInChI=1S/4C5H8O2.Mo/c4*1-4(6)3-5(2)7;/h4*3H2,1-2H3;/q;;;;+4
InChIKeyFHWMRAPJTMZTFL-UHFFFAOYSA-N
MW496.41 g/mol
LogP2.22
Rot. Bonds8

About molybdenum(4+);tetrakis(pentane-2,4-dione)

molybdenum(4+);tetrakis(pentane-2,4-dione) (PubChem CID 11705952) has the molecular formula C20H32MoO8+4 and a molecular weight of 496.41 g/mol. Its IUPAC name is molybdenum(4+);tetrakis(pentane-2,4-dione).

Molecular Properties

Compound Namemolybdenum(4+);tetrakis(pentane-2,4-dione)
PubChem CID11705952
Molecular FormulaC20H32MoO8+4
Molecular Weight496.41 g/mol
Exact Mass498.11
IUPAC Namemolybdenum(4+);tetrakis(pentane-2,4-dione)
SMILESCC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.[Mo+4]
InChIInChI=1S/4C5H8O2.Mo/c4*1-4(6)3-5(2)7;/h4*3H2,1-2H3;/q;;;;+4
InChIKeyFHWMRAPJTMZTFL-UHFFFAOYSA-N
XLogP2.22
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Lithium pentane-2,4-dione
CID 86735745
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
CID 15855332
CID 15855332
silver pentane-2,4-dione
CID 21252539
nickel;pentane-2,4-dione
CID 158705791
CID 87579488
CID 87579488
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
cerium;pentane-2,4-dione;hydrate
CID 86734909

Frequently Asked Questions

What is the IUPAC name of molybdenum(4+);tetrakis(pentane-2,4-dione)?
The IUPAC name of molybdenum(4+);tetrakis(pentane-2,4-dione) (CID 11705952) is molybdenum(4+);tetrakis(pentane-2,4-dione).
What is the SMILES notation for molybdenum(4+);tetrakis(pentane-2,4-dione)?
The canonical SMILES for molybdenum(4+);tetrakis(pentane-2,4-dione) is CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(=O)CC(C)=O.[Mo+4].
What is the InChIKey of molybdenum(4+);tetrakis(pentane-2,4-dione)?
The InChIKey is FHWMRAPJTMZTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H8O2.Mo/c4*1-4(6)3-5(2)7;/h4*3H2,1-2H3;/q;;;;+4.
What are the key properties of molybdenum(4+);tetrakis(pentane-2,4-dione)?
molybdenum(4+);tetrakis(pentane-2,4-dione) has a molecular weight of 496.41 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(4+);tetrakis(pentane-2,4-dione) is sourced from PubChem (CID 11705952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).