An official website of the United States government

CID 592896

PubChem CID
592896
Structure
CID 592896_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
334.2 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 592896.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclopentane;1,2,3,4,5,6-hexahydropentalene-1,2,3,3a,4,5,6,6a-octaide;vanadium

2.1.2 InChI

InChI=1S/C8H6.2C5H5.2V/c1-3-7-5-2-6-8(7)4-1;2*1-2-4-5-3-1;;/h1-6H;2*1-5H;;/q-8;2*-5;;

2.1.3 InChIKey

TTXAPCLLKDLXQX-UHFFFAOYSA-N

2.1.4 SMILES

[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1[CH-][C-]2[CH-][CH-][CH-][C-]2[CH-]1.[V].[V]

2.2 Molecular Formula

C18H16V2-18

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
334.2 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
18
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
334.013116 g/mol
Property Name
Monoisotopic Mass
Property Value
334.013116 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
-18
Property Name
Complexity
Property Value
160
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
5
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS