898755-67-4
4'-TERT-BUTYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
Name4'-TERT-BUTYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
1Identification
【Name】
4'-TERT-BUTYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
【CAS】
【MDL】
MFCD03844292
【English Synonyms】
【Formula】
C20 H30 O3
【MolWeight】
318.454
【Inchi】
InChI=1S/C20H30O3/c1-19(2,3)16-11-9-15(10-12-16)17(21)7-6-8-18-22-13-20(4,5)14-23-18/h9-12,18H,6-8,13-14H2,1-5H3
【InChIKey】
InChIKey=SFENCIAHRLZDCS-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCC(=O)c2ccc(cc2)C(C)(C)C)C
【MOL File】
4'-TERT-BUTYL-4-(5,5….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
4'-TERT-BUTYL-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE.cml