dipotassium;2,2-dipentylpropanedioate

C13H22K2O4 — CID 139411547

IUPACdipotassium;2,2-dipentylpropanedioate
SMILESCCCCCC(CCCCC)(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C13H24O4.2K/c1-3-5-7-9-13(11(14)15,12(16)17)10-8-6-4-2;;/h3-10H2,1-2H3,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyASQSKDXIRFYAOP-UHFFFAOYSA-L
MW320.51 g/mol
LogP-5.36
Rot. Bonds10

About dipotassium;2,2-dipentylpropanedioate

dipotassium;2,2-dipentylpropanedioate (PubChem CID 139411547) has the molecular formula C13H22K2O4 and a molecular weight of 320.51 g/mol. Its IUPAC name is dipotassium;2,2-dipentylpropanedioate.

Molecular Properties

Compound Namedipotassium;2,2-dipentylpropanedioate
PubChem CID139411547
Molecular FormulaC13H22K2O4
Molecular Weight320.51 g/mol
Exact Mass320.08
IUPAC Namedipotassium;2,2-dipentylpropanedioate
SMILESCCCCCC(CCCCC)(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C13H24O4.2K/c1-3-5-7-9-13(11(14)15,12(16)17)10-8-6-4-2;;/h3-10H2,1-2H3,(H,14,15)(H,16,17);;/q;2*+1/p-2
InChIKeyASQSKDXIRFYAOP-UHFFFAOYSA-L
XLogP-5.36
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 5-5.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dipotassium;2,2-dipentylpropanedioate 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

dipotassium;2-dodecyl-2-hexylpropanedioate
CID 139411593
potassium;sodium;2,2-di(undecyl)propanedioate
CID 139411364
potassium;sodium;2-dodecyl-2-pentylpropanedioate
CID 139412069
calcium 2,2-didodecylpropanedioate
CID 153423845
lithium;potassium;2-dodecyl-2-propylpropanedioate
CID 139412090
lithium;sodium;2-dodecyl-2-nonylpropanedioate
CID 139411097
magnesium 2-dodecyl-2-propylpropanedioate
CID 153423975
butane;2-butyl-2-propylpropanedioate;2-ethyl-2-hexylpropanedioate
CID 18694759
lithium;sodium;2,2-dipropylpropanedioate
CID 139411996
tris(2,2-dihexyloctanoate);neodymium(3+)
CID 159599311
copper(1+);2,2-dimethylheptanoate
CID 159491834
2-hexyl-2-methylpentadecanoate
CID 57350898

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,2-dipentylpropanedioate?
The IUPAC name of dipotassium;2,2-dipentylpropanedioate (CID 139411547) is dipotassium;2,2-dipentylpropanedioate.
What is the SMILES notation for dipotassium;2,2-dipentylpropanedioate?
The canonical SMILES for dipotassium;2,2-dipentylpropanedioate is CCCCCC(CCCCC)(C(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2,2-dipentylpropanedioate?
The InChIKey is ASQSKDXIRFYAOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H24O4.2K/c1-3-5-7-9-13(11(14)15,12(16)17)10-8-6-4-2;;/h3-10H2,1-2H3,(H,14,15)(H,16,17);;/q;2*+1/p-2.
What are the key properties of dipotassium;2,2-dipentylpropanedioate?
dipotassium;2,2-dipentylpropanedioate has a molecular weight of 320.51 g/mol, XLogP of -5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,2-dipentylpropanedioate is sourced from PubChem (CID 139411547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).