CID 600745
PubChem CID
600745
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
298.2 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
iron;1,3,5-trimethylcyclohexane;1,3,5-trimethylcyclohexane
InChI=1S/C9H14.C9H12.Fe/c2*1-7-4-8(2)6-9(3)5-7;/h4-5,8H,6H2,1-3H3;4-6H,1-3H3;/q-4;-6;
YRRYSOSBSSDDDS-UHFFFAOYSA-N
CC1C[C-]([CH-][C-]([CH-]1)C)C.C[C-]1[CH-][C-]([CH-][C-]([CH-]1)C)C.[Fe]
C18H26Fe-10
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
298.2 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
298.138386 g/mol
Property Name
Monoisotopic Mass
Property Value
298.138386 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
-10
Property Name
Complexity
Property Value
195
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
3
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS