Catalog Number:
AG00370E
Chemical Name:
Butanoic acid, 3-oxo-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS Number:
59557-05-0
Molecular Formula:
C14H24O3
Molecular Weight:
240.3386
MDL Number:
MFCD01656135
IUPAC Name:
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate
InChI:
InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m1/s1
InChI Key:
QSVQIPXQOCAWHP-KGYLQXTDSA-N
SMILES:
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(=O)C)C(C)C
EC Number:
611-852-3
UNII:
7Y94FXH95P
FEMA Number:
4327
