898755-62-9
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ISOPROPYLVALEROPHENONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ISOPROPYLVALEROPHENONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ISOPROPYLVALEROPHENONE
【CAS】
【MDL】
MFCD03844291
【English Synonyms】
【Formula】
C20 H30 O3
【MolWeight】
318.454
【Inchi】
InChI=1S/C20H30O3/c1-15(2)16-9-11-17(12-10-16)18(21)7-5-6-8-19-22-13-20(3,4)14-23-19/h9-12,15,19H,5-8,13-14H2,1-4H3
【InChIKey】
InChIKey=KRKMDHPUZOOZHH-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1)C(=O)CCCCC2OCC(CO2)(C)C
【MOL File】
5-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ISOPROPYLVALEROPHENONE.cml