898787-21-8
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ETHYLBUTYROPHENONE
Name4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ETHYLBUTYROPHENONE
1Identification
【Name】
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ETHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03844277
【English Synonyms】
【Formula】
C18 H26 O3
【MolWeight】
290.4
【Inchi】
InChI=1S/C18H26O3/c1-4-14-8-10-15(11-9-14)16(19)6-5-7-17-20-12-18(2,3)13-21-17/h8-11,17H,4-7,12-13H2,1-3H3
【InChIKey】
InChIKey=XCAFIODIRIYLRG-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)C(=O)CCCC2OCC(CO2)(C)C
【MOL File】
4-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-ETHYLBUTYROPHENONE.cml