108614-27-3
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-BUTYL-1-(4-ETHYNYLPHENYL)-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-BUTYL-1-(4-ETHYNYLPHENYL)-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-BUTYL-1-(4-ETHYNYLPHENYL)-
【CAS】
【MDL】
MFCD01677699
【English Synonyms】
【Formula】
C17 H20 O3
【MolWeight】
272.342
【Inchi】
InChI=1S/C17H20O3/c1-3-5-10-16-11-18-17(19-12-16,20-13-16)15-8-6-14(4-2)7-9-15/h2,6-9H,3,5,10-13H2,1H3/t16-,17+
【InChIKey】
InChIKey=YAJGDRQWUSLQAJ-CALCHBBNSA-N
【SMILES】
CCCC[C@]12CO[C@](OC1)(OC2)c3ccc(cc3)C#C
【MOL File】
2,6,7-TRIOXABICYCLO(….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
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-BUTYL-1-(4-ETHYNYLPHENYL)-.cml