898755-70-9
4'-TERT-BUTYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
Name4'-TERT-BUTYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
1Identification
【Name】
4'-TERT-BUTYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE
【CAS】
【MDL】
MFCD03844293
【English Synonyms】
【Formula】
C21 H32 O3
【MolWeight】
332.481
【Inchi】
InChI=1S/C21H32O3/c1-20(2,3)17-12-10-16(11-13-17)18(22)8-6-7-9-19-23-14-21(4,5)15-24-19/h10-13,19H,6-9,14-15H2,1-5H3
【InChIKey】
InChIKey=RGVQNINKLZTDLX-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2ccc(cc2)C(C)(C)C)C
【MOL File】
4'-TERT-BUTYL-5-(5,5….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
4'-TERT-BUTYL-5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)VALEROPHENONE.cml