platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)

C32H52O12Pt — CID 174049170

IUPACplatinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)
SMILESCC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.[Pt+4]
InChIInChI=1S/4C8H14O3.Pt/c4*1-5(7(10)11)6(9)8(2,3)4;/h4*5H,1-4H3,(H,10,11);/q;;;;+4/p-4
InChIKeyNCJIWMLOYRDLMS-UHFFFAOYSA-J
MW823.83 g/mol
LogP-0.05
Rot. Bonds8

About platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)

platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate) (PubChem CID 174049170) has the molecular formula C32H52O12Pt and a molecular weight of 823.83 g/mol. Its IUPAC name is platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate).

Molecular Properties

Compound Nameplatinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)
PubChem CID174049170
Molecular FormulaC32H52O12Pt
Molecular Weight823.83 g/mol
Exact Mass823.31
IUPAC Nameplatinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)
SMILESCC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.[Pt+4]
InChIInChI=1S/4C8H14O3.Pt/c4*1-5(7(10)11)6(9)8(2,3)4;/h4*5H,1-4H3,(H,10,11);/q;;;;+4/p-4
InChIKeyNCJIWMLOYRDLMS-UHFFFAOYSA-J
XLogP-0.05
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.83
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
2,2,4,6,6-pentamethyl-3,5-dioxoheptanoic acid
CID 57059945
3-hydroxy-2-methyl-3-oxopropanoate
CID 5461058
lithium 2,2,6,6-tetramethyl-3,5-dioxoheptan-4-olate
CID 102304336
sodium 2-methyl-3-oxobutanoate
CID 23705742
2,3,3-trimethylbutanoate
CID 18945621
carbanylium;methane;2-methyl-3-oxobutanoate
CID 157226748
sodium 3-amino-2-methyl-3-oxopropanoate
CID 141024014
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
iodanium 2,2-dimethylpropanoate
CID 172810367
barium(2+);bis(2-methylpropanoate)
CID 23219604

Frequently Asked Questions

What is the IUPAC name of platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)?
The IUPAC name of platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate) (CID 174049170) is platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate).
What is the SMILES notation for platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)?
The canonical SMILES for platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate) is CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.CC(C(=O)[O-])C(=O)C(C)(C)C.[Pt+4].
What is the InChIKey of platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)?
The InChIKey is NCJIWMLOYRDLMS-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H14O3.Pt/c4*1-5(7(10)11)6(9)8(2,3)4;/h4*5H,1-4H3,(H,10,11);/q;;;;+4/p-4.
What are the key properties of platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate)?
platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate) has a molecular weight of 823.83 g/mol, XLogP of -0.05, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(4+);tetrakis(2,4,4-trimethyl-3-oxopentanoate) is sourced from PubChem (CID 174049170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).