CID 17997370
PubChem CID
17997370
Structure
Molecular Formula
Status
Non-live
Molecular Weight
454.6 g/mol
Dates
- Create:2007-12-04
Chemical Structure Depiction
2-ethylhexan-1-olate;oxovanadium(2+)
InChI=1S/3C8H17O.O.V/c3*1-3-5-6-8(4-2)7-9;;/h3*8H,3-7H2,1-2H3;;/q3*-1;;+2
QKAQLQGDQHMJJC-UHFFFAOYSA-N
CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].O=[V+2]
C24H51O4V-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
454.6 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
15
Property Name
Exact Mass
Property Value
454.322693 g/mol
Property Name
Monoisotopic Mass
Property Value
454.322693 g/mol
Property Name
Topological Polar Surface Area
Property Value
86.3 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
54.5
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
4
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS