898755-54-9
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-HEPTYLVALEROPHENONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-HEPTYLVALEROPHENONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-HEPTYLVALEROPHENONE
【CAS】
【MDL】
MFCD03844288
【English Synonyms】
【Formula】
C24 H38 O3
【MolWeight】
374.561
【Inchi】
InChI=1S/C24H38O3/c1-4-5-6-7-8-11-20-14-16-21(17-15-20)22(25)12-9-10-13-23-26-18-24(2,3)19-27-23/h14-17,23H,4-13,18-19H2,1-3H3
【InChIKey】
InChIKey=WASWHLZLAREPJK-UHFFFAOYSA-N
【SMILES】
CCCCCCCc1ccc(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
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-HEPTYLVALEROPHENONE.cml