CID 28994302
PubChem CID
28994302
Structure
Molecular Formula
Status
Non-live
Molecular Weight
202.29 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
methyl 2-[(2S)-octan-2-yl]oxyacetate
InChI=1S/C11H22O3/c1-4-5-6-7-8-10(2)14-9-11(12)13-3/h10H,4-9H2,1-3H3/t10-/m0/s1
UCBOPQUNHKALKN-JTQLQIEISA-N
CCCCCC[C@H](C)OCC(=O)OC
C11H22O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
202.29 g/mol
Property Name
XLogP3-AA
Property Value
3.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
202.15689456 g/mol
Property Name
Monoisotopic Mass
Property Value
202.15689456 g/mol
Property Name
Topological Polar Surface Area
Property Value
35.5 A^2
Property Name
Heavy Atom Count
Property Value
14
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
145
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