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CID 597178

PubChem CID
597178
Structure
CID 597178_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
232.97 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 597178.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclooctane;cyclopentane;nickel

2.1.2 InChI

InChI=1S/C8H13.C5H5.Ni/c1-2-4-6-8-7-5-3-1;1-2-4-5-3-1;/h1-3H,4-8H2;1-5H;/q-3;-5;

2.1.3 InChIKey

QOLKGUIWYMQCRJ-UHFFFAOYSA-N

2.1.4 SMILES

C1CC[CH-][CH-][CH-]CC1.[CH-]1[CH-][CH-][CH-][CH-]1.[Ni]

2.2 Molecular Formula

C13H18Ni-8

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
232.97 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
8
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
232.076192 g/mol
Property Name
Monoisotopic Mass
Property Value
232.076192 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-8
Property Name
Complexity
Property Value
83.8
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS