898756-08-6
2',4'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Name2',4'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
2',4'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844313
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H28 O5
【pro_molWeight】
336.425
【Inchi】
InChI=1S/C19H28O5/c1-19(2)12-23-18(24-13-19)8-6-5-7-16(20)15-10-9-14(21-3)11-17(15)22-4/h9-11,18H,5-8,12-13H2,1-4H3
【InChIKey】
InChIKey=CENRHDKKNWUPJP-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2ccc(cc2OC)OC)C
【MOL File】
2',4'-DIMETHOXY-5-(5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2',4'-DIMETHOXY-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml