CID 23188842
PubChem CID
23188842
Structure
Molecular Formula
Status
Non-live
Molecular Weight
618.9 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
dialuminum;2-ethylhexan-1-olate;propan-2-olate
InChI=1S/3C8H17O.3C3H7O.2Al/c3*1-3-5-6-8(4-2)7-9;3*1-3(2)4;;/h3*8H,3-7H2,1-2H3;3*3H,1-2H3;;/q6*-1;2*+3
WNMJLCROMKSFCY-UHFFFAOYSA-N
CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3].[Al+3]
C33H72Al2O6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
618.9 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
15
Property Name
Exact Mass
Property Value
618.495967 g/mol
Property Name
Monoisotopic Mass
Property Value
618.495967 g/mol
Property Name
Topological Polar Surface Area
Property Value
138 A^2
Property Name
Heavy Atom Count
Property Value
41
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
63.3
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
3
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
8
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS