CID 53411059
PubChem CID
53411059
Structure
Molecular Formula
Status
Non-live
Molecular Weight
189.27 g/mol
Dates
- Create:2011-10-30
Chemical Structure Depiction
2-ethylhexan-1-ol;acetate
InChI=1S/C8H18O.C2H4O2/c1-3-5-6-8(4-2)7-9;1-2(3)4/h8-9H,3-7H2,1-2H3;1H3,(H,3,4)/p-1
BHBRSSXMJLCZEX-UHFFFAOYSA-M
CCCCC(CC)CO.CC(=O)[O-]
C10H21O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
189.27 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
189.14906953 g/mol
Property Name
Monoisotopic Mass
Property Value
189.14906953 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
78
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
Old substance
CONTENTS