IUPAC Name :(4S)-4-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
InChI :InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
Std.InChI: InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h7,10,14,16H,5-6,8H2,1-4H3/t10-,13-/m1/s1
InChIKey :CWOFGGNDZOPNFG-ZWNOBZJWBU
Std.InChIKey: CWOFGGNDZOPNFG-ZWNOBZJWSA-N
SMILES :CC1=CC(=O)CC([C@]1(CC[C@@H](C)O)O)(C)C
Molar Refractivity :63.01 ± 0.3 cm3 (est)
Parachor :534.7 ± 6.0 cm3 (est)
Index of Refraction :1.493 ± 0.02
(est)
Surface Tension :37.2 ± 3.0 dyne/cm (est)
Density :1.045 ± 0.06 g/cm3 (est)
Polarizability :24.97 ± 0.5 10-24cm3 (est)