898786-77-1
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3',5'-DIMETHYL-4'-METHOXYVALEROPHENONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3',5'-DIMETHYL-4'-METHOXYVALEROPHENONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3',5'-DIMETHYL-4'-METHOXYVALEROPHENONE
【CAS】
【MDL】
MFCD03844264
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H30 O4
【pro_molWeight】
334.453
【Inchi】
InChI=1S/C20H30O4/c1-14-10-16(11-15(2)19(14)22-5)17(21)8-6-7-9-18-23-12-20(3,4)13-24-18/h10-11,18H,6-9,12-13H2,1-5H3
【InChIKey】
InChIKey=PMDGKVCQGKNRBF-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1OC)C)C(=O)CCCCC2OCC(CO2)(C)C
【MOL File】
5-(5,5-DIMETHYL-1,3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3',5'-DIMETHYL-4'-METHOXYVALEROPHENONE.cml