dioxomolybdenum;pentane-2,4-dione

C5H8MoO4 — CID 160782783

IUPACdioxomolybdenum;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.O=[Mo]=O
InChIInChI=1S/C5H8O2.Mo.2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;;
InChIKeySAUKGPBXGNAYSA-UHFFFAOYSA-N
MW228.05 g/mol
LogP0.31
Rot. Bonds2

About dioxomolybdenum;pentane-2,4-dione

dioxomolybdenum;pentane-2,4-dione (PubChem CID 160782783) has the molecular formula C5H8MoO4 and a molecular weight of 228.05 g/mol. Its IUPAC name is dioxomolybdenum;pentane-2,4-dione.

Molecular Properties

Compound Namedioxomolybdenum;pentane-2,4-dione
PubChem CID160782783
Molecular FormulaC5H8MoO4
Molecular Weight228.05 g/mol
Exact Mass229.95
IUPAC Namedioxomolybdenum;pentane-2,4-dione
SMILESCC(=O)CC(C)=O.O=[Mo]=O
InChIInChI=1S/C5H8O2.Mo.2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;;
InChIKeySAUKGPBXGNAYSA-UHFFFAOYSA-N
XLogP0.31
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;pentane-2,4-dione?
The IUPAC name of dioxomolybdenum;pentane-2,4-dione (CID 160782783) is dioxomolybdenum;pentane-2,4-dione.
What is the SMILES notation for dioxomolybdenum;pentane-2,4-dione?
The canonical SMILES for dioxomolybdenum;pentane-2,4-dione is CC(=O)CC(C)=O.O=[Mo]=O.
What is the InChIKey of dioxomolybdenum;pentane-2,4-dione?
The InChIKey is SAUKGPBXGNAYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Mo.2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;;.
What are the key properties of dioxomolybdenum;pentane-2,4-dione?
dioxomolybdenum;pentane-2,4-dione has a molecular weight of 228.05 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;pentane-2,4-dione is sourced from PubChem (CID 160782783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).