CID 600746
PubChem CID
600746
Structure
Molecular Formula
Status
Non-live
Molecular Weight
122.21 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
1,3,5-trimethylcyclohexane
InChI=1S/C9H14/c1-7-4-8(2)6-9(3)5-7/h4-5,8H,6H2,1-3H3/q-4
WDGALCWORJUICZ-UHFFFAOYSA-N
CC1C[C-]([CH-][C-]([CH-]1)C)C
C9H14-4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
122.21 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
0
Property Name
Exact Mass
Property Value
122.109550447 g/mol
Property Name
Monoisotopic Mass
Property Value
122.109550447 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
-4
Property Name
Complexity
Property Value
86
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
Old substance
CONTENTS