CID 38988880
PubChem CID
38988880
Structure
Molecular Formula
Status
Non-live
Molecular Weight
169.24 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
(2S)-2-cyclohexylbutanoate
InChI=1S/C10H18O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)/p-1/t9-/m0/s1
RPXFDOOFVNTCQA-VIFPVBQESA-M
CC[C@@H](C1CCCCC1)C(=O)[O-]
C10H17O2-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
169.24 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
2
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
169.122854781 g/mol
Property Name
Monoisotopic Mass
Property Value
169.122854781 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
12
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
142
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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
Old substance
CONTENTS