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CID 61573

PubChem CID
61573
Structure
CID 61573_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
210.35 g/mol
Dates
  • Create:
    2005-08-08

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 61573.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;decanoate

2.1.2 InChI

InChI=1S/C10H20O2.K/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1

2.1.3 InChIKey

QDIGBJJRWUZARS-UHFFFAOYSA-M

2.1.4 SMILES

CCCCCCCCCC(=O)[O-].[K+]

2.2 Molecular Formula

C10H19KO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
210.35 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
210.10221133 g/mol
Property Name
Monoisotopic Mass
Property Value
210.10221133 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
105
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS