CID 22766422
PubChem CID
22766422
Structure
Molecular Formula
Status
Non-live
Molecular Weight
216.32 g/mol
Dates
- Create:2007-12-05
Chemical Structure Depiction
2-ethylhexan-1-ol;oxolan-2-one
InChI=1S/C8H18O.C4H6O2/c1-3-5-6-8(4-2)7-9;5-4-2-1-3-6-4/h8-9H,3-7H2,1-2H3;1-3H2
IKVOMHQGLNEKFG-UHFFFAOYSA-N
CCCCC(CC)CO.C1CC(=O)OC1
C12H24O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
216.32 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
216.17254462 g/mol
Property Name
Monoisotopic Mass
Property Value
216.17254462 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.5 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
120
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