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CID 22146446

PubChem CID
22146446
Structure
CID 22146446_small.png
Molecular Formula
Status
Non-live
Molecular Weight
465 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 22146446.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/2C8H17O.Pb/c2*1-3-5-6-8(4-2)7-9;/h2*8H,3-7H2,1-2H3;/q2*-1;

2.1.2 InChIKey

FNAVYBJMJDXAGK-UHFFFAOYSA-N

2.1.3 SMILES

CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Pb]

2.2 Molecular Formula

C16H34O2Pb-2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
465 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
10
Property Name
Exact Mass
Property Value
466.23253 g/mol
Property Name
Monoisotopic Mass
Property Value
466.23253 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
52.5
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
2
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