CID 7107329
PubChem CID
7107329
Structure
Molecular Formula
Status
Non-live
Molecular Weight
238.32 g/mol
Dates
- Create:2006-07-29
Chemical Structure Depiction
(1S,3S,5R,6S)-6-tert-butyl-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
InChI=1S/C14H22O3/c1-14(2,3)11-5-4-8-6-9(13(16)17)7-10(11)12(8)15/h8-11H,4-7H2,1-3H3,(H,16,17)/t8-,9-,10+,11-/m0/s1
SEDAVTGBHBBTDC-MMWGEVLESA-N
CC(C)(C)[C@H]1CC[C@H]2C[C@@H](C[C@H]1C2=O)C(=O)O
C14H22O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
238.32 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
238.15689456 g/mol
Property Name
Monoisotopic Mass
Property Value
238.15689456 g/mol
Property Name
Topological Polar Surface Area
Property Value
54.4 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
340
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
4
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
CONTENTS