898756-41-7
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-VALERONAPHTHONE
Name5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-VALERONAPHTHONE
1Identification
【Name】
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-VALERONAPHTHONE
【CAS】
【MDL】
MFCD03844327
【English Synonyms】
【Formula】
C21 H26 O3
【MolWeight】
326.433
【Inchi】
InChI=1S/C21H26O3/c1-21(2)14-23-20(24-15-21)10-6-5-9-19(22)18-12-11-16-7-3-4-8-17(16)13-18/h3-4,7-8,11-13,20H,5-6,9-10,14-15H2,1-2H3
【InChIKey】
InChIKey=HVIKLJARIQCPMV-UHFFFAOYSA-N
【SMILES】
CC1(COC(OC1)CCCCC(=O)c2ccc3ccccc3c2)C
【MOL File】
5-(5,5-DIMETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-VALERONAPHTHONE.cml