898755-78-7
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYVALEROPHENONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYVALEROPHENONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYVALEROPHENONE
【CAS】
【MDL】
MFCD03844295
【English Synonyms】
【Formula】
C19 H28 O4
【MolWeight】
320.426
【Inchi】
InChI=1S/C19H28O4/c1-4-21-17-11-7-5-9-15(17)16(20)10-6-8-12-18-22-13-19(2,3)14-23-18/h5,7,9,11,18H,4,6,8,10,12-14H2,1-3H3
【InChIKey】
InChIKey=UKJNKIHKNANWTN-UHFFFAOYSA-N
【SMILES】
CCOc1ccccc1C(=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:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-ETHOXYVALEROPHENONE.cml