CID 54510673
PubChem CID
54510673
Structure
Molecular Formula
Status
Non-live
Molecular Weight
132.22 g/mol
Dates
- Create:2011-12-04
Chemical Structure Depiction
2-(114C)ethylhexan-1-ol
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/i4+2
YIWUKEYIRIRTPP-DOMIDYPGSA-N
CCCCC(CO)[14CH2]C
C8H18O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
132.22 g/mol
Property Name
XLogP3
Property Value
3.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
132.13900718 g/mol
Property Name
Monoisotopic Mass
Property Value
132.13900718 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
9
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
52.5
Property Name
Isotope Atom Count
Property Value
1
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS