CID 41098292
PubChem CID
41098292
Structure
Molecular Formula
Status
Non-live
Molecular Weight
227.28 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
3-[(3S)-3-(3-methylbutyl)-2-oxooxolan-3-yl]propanoate
InChI=1S/C12H20O4/c1-9(2)3-5-12(6-4-10(13)14)7-8-16-11(12)15/h9H,3-8H2,1-2H3,(H,13,14)/p-1/t12-/m0/s1
UFRNSYLUSNJLON-LBPRGKRZSA-M
CC(C)CC[C@@]1(CCOC1=O)CCC(=O)[O-]
C12H19O4-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
227.28 g/mol
Property Name
XLogP3-AA
Property Value
2.8
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
5
Property Name
Exact Mass
Property Value
227.12833408 g/mol
Property Name
Monoisotopic Mass
Property Value
227.12833408 g/mol
Property Name
Topological Polar Surface Area
Property Value
66.4 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
267
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS