• 
  [Synonyms]
  EINECS 261-115-1
  (1S-(1alpha,2beta,3alpha,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptane-3-carboxylic acid
  58096-27-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	182.25942 [g/mol]
  Molecular Formula	C11H18O2
  XLogP	3.6
  H-Bond Donor	1
  H-Bond Acceptor	2
  Rotatable Bond Count	1
  Exact Mass	182.13068
  MonoIsotopic Mass	182.13068
  Topological Polar Surface Area	37.3
  Heavy Atom Count	13
  Formal Charge	0
  Complexity	245
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	3
  Undefined Atom StereoCenter Count	1
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: (1S,3S,5R)-2,7,7-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
  Canonical SMILES: CC1C(CC2CC1C2(C)C)C(=O)O
  Isomeric SMILES: CC1[C@H](C[C@H]2C[C@@H]1C2(C)C)C(=O)O
  InChI: InChI=1/C11H18O2/c1-6-8(10(12)13)4-7-5-9(6)11(7,2)3/h6-9H,4-5H2,1-3H3,
  (H,12,13)/t6u,7-,8-,9-/m0/s1/f/h12H