dipotassium;4-methylphthalate

C9H6K2O4 — CID 140576906

IUPACdipotassium;4-methylphthalate
SMILESCc1ccc(C(=O)[O-])c(C(=O)[O-])c1.[K+].[K+]
InChIInChI=1S/C9H8O4.2K/c1-5-2-3-6(8(10)11)7(4-5)9(12)13;;/h2-4H,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyKEESFKKZQIHTSA-UHFFFAOYSA-L
MW256.34 g/mol
LogP-7.27
Rot. Bonds2

About dipotassium;4-methylphthalate

dipotassium;4-methylphthalate (PubChem CID 140576906) has the molecular formula C9H6K2O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is dipotassium;4-methylphthalate.

Molecular Properties

Compound Namedipotassium;4-methylphthalate
PubChem CID140576906
Molecular FormulaC9H6K2O4
Molecular Weight256.34 g/mol
Exact Mass255.95
IUPAC Namedipotassium;4-methylphthalate
SMILESCc1ccc(C(=O)[O-])c(C(=O)[O-])c1.[K+].[K+]
InChIInChI=1S/C9H8O4.2K/c1-5-2-3-6(8(10)11)7(4-5)9(12)13;;/h2-4H,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyKEESFKKZQIHTSA-UHFFFAOYSA-L
XLogP-7.27
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 5-7.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipotassium;4-methylphthalate?
The IUPAC name of dipotassium;4-methylphthalate (CID 140576906) is dipotassium;4-methylphthalate.
What is the SMILES notation for dipotassium;4-methylphthalate?
The canonical SMILES for dipotassium;4-methylphthalate is Cc1ccc(C(=O)[O-])c(C(=O)[O-])c1.[K+].[K+].
What is the InChIKey of dipotassium;4-methylphthalate?
The InChIKey is KEESFKKZQIHTSA-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H8O4.2K/c1-5-2-3-6(8(10)11)7(4-5)9(12)13;;/h2-4H,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2.
What are the key properties of dipotassium;4-methylphthalate?
dipotassium;4-methylphthalate has a molecular weight of 256.34 g/mol, XLogP of -7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4-methylphthalate is sourced from PubChem (CID 140576906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).