CID 23333969
PubChem CID
23333969
Structure
Molecular Formula
Status
Non-live
Molecular Weight
226.29 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2-ethylhexan-1-ol;sulfate
InChI=1S/C8H18O.H2O4S/c1-3-5-6-8(4-2)7-9;1-5(2,3)4/h8-9H,3-7H2,1-2H3;(H2,1,2,3,4)/p-2
DOSXXVDLYGGAKZ-UHFFFAOYSA-L
CCCCC(CC)CO.[O-]S(=O)(=O)[O-]
C8H18O5S-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
226.29 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
226.08749484 g/mol
Property Name
Monoisotopic Mass
Property Value
226.08749484 g/mol
Property Name
Topological Polar Surface Area
Property Value
109 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
115
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
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS