Structure Info
- Chemspace ID
- CSMB00115131871 (Enamine MADE)
- IUPAC Name
- 1-(but-3-yn-2-yl)-2,2-dimethylcyclopentane-1-carboxylic acid
- Mol formula
- C12H18O2
- Mol weight
- 194 Da
- Catalog Number(s)
- BBV-150290138, CSC115131871
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.96
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00115131871
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