898755-48-1
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PENTYLVALEROPHENONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PENTYLVALEROPHENONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PENTYLVALEROPHENONE
【CAS】
【MDL】
MFCD03844286
【English Synonyms】
【Formula】
C22 H34 O3
【MolWeight】
346.508
【Inchi】
InChI=1S/C22H34O3/c1-4-5-6-9-18-12-14-19(15-13-18)20(23)10-7-8-11-21-24-16-22(2,3)17-25-21/h12-15,21H,4-11,16-17H2,1-3H3
【InChIKey】
InChIKey=OLEIAVHEZNDACV-UHFFFAOYSA-N
【SMILES】
CCCCCc1ccc(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
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-4'-PENTYLVALEROPHENONE.cml