CID 7164438
PubChem CID
7164438
Structure
Molecular Formula
Status
Non-live
Molecular Weight
138.21 g/mol
Dates
- Create:2006-07-29
Chemical Structure Depiction
[(1S,2R,4R)-2-bicyclo[2.2.2]oct-5-enyl]methanol
InChI=1S/C9H14O/c10-6-9-5-7-1-3-8(9)4-2-7/h1,3,7-10H,2,4-6H2/t7-,8-,9+/m1/s1
KOCJWKFHBTXNJS-HLTSFMKQSA-N
C1C[C@H]2C=C[C@H]1C[C@H]2CO
C9H14O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
138.21 g/mol
Property Name
XLogP3-AA
Property Value
1.8
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
1
Property Name
Exact Mass
Property Value
138.104465066 g/mol
Property Name
Monoisotopic Mass
Property Value
138.104465066 g/mol
Property Name
Topological Polar Surface Area
Property Value
20.2 A^2
Property Name
Heavy Atom Count
Property Value
10
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
151
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
3
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
Old substance
CONTENTS