dipotassium;2-hex-1-enylbutanedioate

C10H14K2O4 — CID 131720829

IUPACdipotassium;2-hex-1-enylbutanedioate
SMILESCCCCC=CC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C10H16O4.2K/c1-2-3-4-5-6-8(10(13)14)7-9(11)12;;/h5-6,8H,2-4,7H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyYQJZCYADALWWLH-UHFFFAOYSA-L
MW276.41 g/mol
LogP-6.75
Rot. Bonds7

About dipotassium;2-hex-1-enylbutanedioate

dipotassium;2-hex-1-enylbutanedioate (PubChem CID 131720829) has the molecular formula C10H14K2O4 and a molecular weight of 276.41 g/mol. Its IUPAC name is dipotassium;2-hex-1-enylbutanedioate.

Molecular Properties

Compound Namedipotassium;2-hex-1-enylbutanedioate
PubChem CID131720829
Molecular FormulaC10H14K2O4
Molecular Weight276.41 g/mol
Exact Mass276.02
IUPAC Namedipotassium;2-hex-1-enylbutanedioate
SMILESCCCCC=CC(CC(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C10H16O4.2K/c1-2-3-4-5-6-8(10(13)14)7-9(11)12;;/h5-6,8H,2-4,7H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyYQJZCYADALWWLH-UHFFFAOYSA-L
XLogP-6.75
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-6.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-hex-1-enylbutanedioate?
The IUPAC name of dipotassium;2-hex-1-enylbutanedioate (CID 131720829) is dipotassium;2-hex-1-enylbutanedioate.
What is the SMILES notation for dipotassium;2-hex-1-enylbutanedioate?
The canonical SMILES for dipotassium;2-hex-1-enylbutanedioate is CCCCC=CC(CC(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2-hex-1-enylbutanedioate?
The InChIKey is YQJZCYADALWWLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16O4.2K/c1-2-3-4-5-6-8(10(13)14)7-9(11)12;;/h5-6,8H,2-4,7H2,1H3,(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-hex-1-enylbutanedioate?
dipotassium;2-hex-1-enylbutanedioate has a molecular weight of 276.41 g/mol, XLogP of -6.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-hex-1-enylbutanedioate is sourced from PubChem (CID 131720829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).