CID 57427883
PubChem CID
57427883
Structure
Molecular Formula
Status
Non-live
Molecular Weight
115.19 g/mol
Dates
- Create:2012-08-08
Chemical Structure Depiction
InChI=1S/C7H15O/c1-4-5-6-8-7(2)3/h7H,2,4-6H2,1,3H3
GUXRVRZBQZNNLL-UHFFFAOYSA-N
CCCCOC(C)[CH2]
C7H15O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
115.19 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
115.112290098 g/mol
Property Name
Monoisotopic Mass
Property Value
115.112290098 g/mol
Property Name
Topological Polar Surface Area
Property Value
9.2 A^2
Property Name
Heavy Atom Count
Property Value
8
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
43.7
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