Compound Summary for: CID 62486

Molecular Formula: C8H15KO2   Molecular Weight: 182.3018   InChIKey: ZUFQCVZBBNZMKD-UHFFFAOYSA-M
Compound Information
CID 62486
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 182.3018 [g/mol]
Molecular FormulaC8H15KO2
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count4
Exact Mass182.070911
MonoIsotopic Mass182.070911
Topological Polar Surface Area40.1
Heavy Atom Count11
Formal Charge0
Complexity93.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namepotassium;2-ethylhexanoate
InChIInChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyZUFQCVZBBNZMKD-UHFFFAOYSA-M
Canonical SMILESCCCCC(CC)C(=O)[O-].[K+]
Isomeric SMILESCCCCC(CC)C(=O)[O-].[K+]
Old Version Substance Information