dipotassium;2-methylhexanedioate

C7H10K2O4 — CID 88781923

IUPACdipotassium;2-methylhexanedioate
SMILESCC(CCCC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H12O4.2K/c1-5(7(10)11)3-2-4-6(8)9;;/h5H,2-4H2,1H3,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeyWGGXMTWHZUEPRF-UHFFFAOYSA-L
MW236.35 g/mol
LogP-7.70
Rot. Bonds5

About dipotassium;2-methylhexanedioate

dipotassium;2-methylhexanedioate (PubChem CID 88781923) has the molecular formula C7H10K2O4 and a molecular weight of 236.35 g/mol. Its IUPAC name is dipotassium;2-methylhexanedioate.

Molecular Properties

Compound Namedipotassium;2-methylhexanedioate
PubChem CID88781923
Molecular FormulaC7H10K2O4
Molecular Weight236.35 g/mol
Exact Mass235.99
IUPAC Namedipotassium;2-methylhexanedioate
SMILESCC(CCCC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C7H12O4.2K/c1-5(7(10)11)3-2-4-6(8)9;;/h5H,2-4H2,1H3,(H,8,9)(H,10,11);;/q;2*+1/p-2
InChIKeyWGGXMTWHZUEPRF-UHFFFAOYSA-L
XLogP-7.70
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 5-7.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-hydroxyhexanoate
CID 7131042
(2R)-2-methylhexanoate
CID 6999857
sodium 5-methylhexanoate
CID 58914873
copper bis(2-methylhexanoate)
CID 19768945
6-azaniumyl-2-methylhexanoate
CID 58988616
potassium 5-hydroxyheptanoate
CID 23698795
magnesium bis(2-methylnonanoate)
CID 175226104
potassium 5-hydroxyhexadecanoate
CID 171774657
copper(1+);4-methylpentanoate
CID 159345928
dipotassium;2-methylbutanedioate
CID 87067134
6-methylheptanoate;rubidium(1+)
CID 88757744
tris(6-methylheptanoate);terbium(3+)
CID 175061376

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-methylhexanedioate?
The IUPAC name of dipotassium;2-methylhexanedioate (CID 88781923) is dipotassium;2-methylhexanedioate.
What is the SMILES notation for dipotassium;2-methylhexanedioate?
The canonical SMILES for dipotassium;2-methylhexanedioate is CC(CCCC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-methylhexanedioate?
The InChIKey is WGGXMTWHZUEPRF-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H12O4.2K/c1-5(7(10)11)3-2-4-6(8)9;;/h5H,2-4H2,1H3,(H,8,9)(H,10,11);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-methylhexanedioate?
dipotassium;2-methylhexanedioate has a molecular weight of 236.35 g/mol, XLogP of -7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-methylhexanedioate is sourced from PubChem (CID 88781923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).