hexane-2,4-dione;platinum

C6H10O2Pt — CID 161447923

IUPAChexane-2,4-dione;platinum
SMILESCCC(=O)CC(C)=O.[Pt]
InChIInChI=1S/C6H10O2.Pt/c1-3-6(8)4-5(2)7;/h3-4H2,1-2H3;
InChIKeyWADIRYJYCTZDNS-UHFFFAOYSA-N
MW309.22 g/mol
LogP0.94
Rot. Bonds3

About hexane-2,4-dione;platinum

hexane-2,4-dione;platinum (PubChem CID 161447923) has the molecular formula C6H10O2Pt and a molecular weight of 309.22 g/mol. Its IUPAC name is hexane-2,4-dione;platinum.

Molecular Properties

Compound Namehexane-2,4-dione;platinum
PubChem CID161447923
Molecular FormulaC6H10O2Pt
Molecular Weight309.22 g/mol
Exact Mass309.03
IUPAC Namehexane-2,4-dione;platinum
SMILESCCC(=O)CC(C)=O.[Pt]
InChIInChI=1S/C6H10O2.Pt/c1-3-6(8)4-5(2)7;/h3-4H2,1-2H3;
InChIKeyWADIRYJYCTZDNS-UHFFFAOYSA-N
XLogP0.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexane-2,4-dione;triethoxysilane
CID 175224475
bis(heptane-2,4-dione);platinum
CID 158167242
undecane-2,4,6,8,10-pentone
CID 174158301
heptane-2,4-dione;palladium(2+)
CID 21417766
1-chlorohexane-2,4-dione
CID 11084040
Lithium pentane-2,4-dione
CID 86735745
3-oxobutanoyl 3-oxobutanoate
CID 18751461
heptane-2,4,5-trione
CID 19107182
silver pentane-2,4-dione
CID 21252539
nickel;pentane-2,4-dione
CID 158705791
CID 87579488
CID 87579488
CID 87073525
CID 87073525

Frequently Asked Questions

What is the IUPAC name of hexane-2,4-dione;platinum?
The IUPAC name of hexane-2,4-dione;platinum (CID 161447923) is hexane-2,4-dione;platinum.
What is the SMILES notation for hexane-2,4-dione;platinum?
The canonical SMILES for hexane-2,4-dione;platinum is CCC(=O)CC(C)=O.[Pt].
What is the InChIKey of hexane-2,4-dione;platinum?
The InChIKey is WADIRYJYCTZDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.Pt/c1-3-6(8)4-5(2)7;/h3-4H2,1-2H3;.
What are the key properties of hexane-2,4-dione;platinum?
hexane-2,4-dione;platinum has a molecular weight of 309.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-2,4-dione;platinum is sourced from PubChem (CID 161447923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).