potassium;dipropyl 2-oxobutanedioate;hydride

C10H17KO5 — CID 173344043

IUPACpotassium;dipropyl 2-oxobutanedioate;hydride
SMILESCCCOC(=O)CC(=O)C(=O)OCCC.[H-].[K+]
InChIInChI=1S/C10H16O5.K.H/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2;;/h3-7H2,1-2H3;;/q;+1;-1
InChIKeyJPOAKZQTQUAOGY-UHFFFAOYSA-N
MW256.34 g/mol
LogP-2.03
Rot. Bonds7

About potassium;dipropyl 2-oxobutanedioate;hydride

potassium;dipropyl 2-oxobutanedioate;hydride (PubChem CID 173344043) has the molecular formula C10H17KO5 and a molecular weight of 256.34 g/mol. Its IUPAC name is potassium;dipropyl 2-oxobutanedioate;hydride.

Molecular Properties

Compound Namepotassium;dipropyl 2-oxobutanedioate;hydride
PubChem CID173344043
Molecular FormulaC10H17KO5
Molecular Weight256.34 g/mol
Exact Mass256.07
IUPAC Namepotassium;dipropyl 2-oxobutanedioate;hydride
SMILESCCCOC(=O)CC(=O)C(=O)OCCC.[H-].[K+]
InChIInChI=1S/C10H16O5.K.H/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2;;/h3-7H2,1-2H3;;/q;+1;-1
InChIKeyJPOAKZQTQUAOGY-UHFFFAOYSA-N
XLogP-2.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium propyl 2,4-dioxopentanoate
CID 91996636
3-oxo-3-propoxypropanoate
CID 71358122
butane;3-oxo-3-propoxypropanoate
CID 22486022
lithium 3-oxo-3-propoxypropanoate
CID 87491607
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
propyl 3-hydroxypropanoate
CID 12778693
1-O-ethyl 2-O-propyl oxalate
CID 6420312
propyl 3-aminobutanoate
CID 43247954
methane;propyl butanoate
CID 157187060
propyl 2-fluoroacetate
CID 24957
methanol;bis(propyl 4,4-dimethyl-3-oxopentanoate);titanium
CID 87294049

Frequently Asked Questions

What is the IUPAC name of potassium;dipropyl 2-oxobutanedioate;hydride?
The IUPAC name of potassium;dipropyl 2-oxobutanedioate;hydride (CID 173344043) is potassium;dipropyl 2-oxobutanedioate;hydride.
What is the SMILES notation for potassium;dipropyl 2-oxobutanedioate;hydride?
The canonical SMILES for potassium;dipropyl 2-oxobutanedioate;hydride is CCCOC(=O)CC(=O)C(=O)OCCC.[H-].[K+].
What is the InChIKey of potassium;dipropyl 2-oxobutanedioate;hydride?
The InChIKey is JPOAKZQTQUAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5.K.H/c1-3-5-14-9(12)7-8(11)10(13)15-6-4-2;;/h3-7H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;dipropyl 2-oxobutanedioate;hydride?
potassium;dipropyl 2-oxobutanedioate;hydride has a molecular weight of 256.34 g/mol, XLogP of -2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dipropyl 2-oxobutanedioate;hydride is sourced from PubChem (CID 173344043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).