898755-42-5
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-N-PROPYLVALEROPHENONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-N-PROPYLVALEROPHENONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-N-PROPYLVALEROPHENONE
【CAS】
【MDL】
MFCD03844284
【English Synonyms】
【Formula】
C20 H30 O3
【MolWeight】
318.454
【Inchi】
InChI=1S/C20H30O3/c1-4-7-16-10-12-17(13-11-16)18(21)8-5-6-9-19-22-14-20(2,3)15-23-19/h10-13,19H,4-9,14-15H2,1-3H3
【InChIKey】
InChIKey=QIFFYAGZISWGEC-UHFFFAOYSA-N
【SMILES】
CCCc1ccc(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'-N-PROPYLVALEROPHENONE.cml