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CID 595683

PubChem CID
595683
Structure
CID 595683_small.png
Molecular Formula
Status
Non-live
Molecular Weight
108.18 g/mol
Dates
  • Create:
    2005-03-27

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 595683.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethylcyclohexane

2.1.2 InChI

InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2/q-4

2.1.3 InChIKey

DOKIWLBZAIZNAZ-UHFFFAOYSA-N

2.1.4 SMILES

[CH2-][CH-]C1CC[CH-][CH-]C1

2.2 Molecular Formula

C8H12-4

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
108.18 g/mol
Property Name
XLogP3-AA
Property Value
4
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
1
Property Name
Exact Mass
Property Value
108.093900383 g/mol
Property Name
Monoisotopic Mass
Property Value
108.093900383 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
-4
Property Name
Complexity
Property Value
57.1
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
1
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS