CID 604357
PubChem CID
604357
Structure
Molecular Formula
Status
Non-live
Molecular Weight
164.29 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
InChI=1S/C12H20/c1-9-10(2)12-6-4-3-5-11(9)7-8-12/h11-12H,3-8H2,1-2H3/q-2
JJRGPTSCTUMLQQ-UHFFFAOYSA-N
C[C-]1C2CCCCC([C-]1C)CC2
C12H20-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
164.29 g/mol
Property Name
XLogP3-AA
Property Value
5.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
164.156500638 g/mol
Property Name
Monoisotopic Mass
Property Value
164.156500638 g/mol
Property Name
Topological Polar Surface Area
Property Value
0 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
132
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
CONTENTS