CID 147346543
PubChem CID
147346543
Structure
Molecular Formula
Status
Non-live
Molecular Weight
111.20 g/mol
Dates
- Create:2020-08-12
Chemical Structure Depiction
1-methyl-2-methylcyclohexane
InChI=1S/C8H15/c1-7-5-3-4-6-8(7)2/h7-8H,1,3-6H2,2H3/q+1
DENRIJASJNQIBM-UHFFFAOYSA-N
CC1CCCCC1[CH2+]
C8H15+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
111.20 g/mol
Property Name
XLogP3-AA
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
111.117375478 g/mol
Property Name
Monoisotopic Mass
Property Value
111.117375478 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
1
Property Name
Complexity
Property Value
66.4
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS