Specification
Synonyms
2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate
IUPAC Name
[(1R,2S,5R)-5-Methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate
Canonical SMILES
CC1CCC(C(C1)OC(=O)C(C)O)C(C)C
InChI
InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1
InChI Key
UJNOLBSYLSYIBM-SGUBAKSOSA-N
Solubility
Slightly soluble in water
Isomeric SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)O)C(C)C
Monoisotopic Mass
228.17254462
pKa
13.01±0.20(Predicted)
Safety Description
S24/25
Stability
Stable under normal temperatures and pressures.
Topological Polar Surface Area
46.5 Ų