CID 57438867
PubChem CID
57438867
Structure
Molecular Formula
Status
Non-live
Molecular Weight
129.22 g/mol
Dates
- Create:2012-08-08
Chemical Structure Depiction
InChI=1S/C8H17O/c1-3-4-5-6-8(2)7-9/h8-9H,1,3-7H2,2H3
QIKZGPFYZYLUKV-UHFFFAOYSA-N
CC(CCCC[CH2])CO
C8H17O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
129.22 g/mol
Property Name
XLogP3-AA
Property Value
2.9
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
129.127940162 g/mol
Property Name
Monoisotopic Mass
Property Value
129.127940162 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
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
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
Old substance
CONTENTS