108614-29-5
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-ETHYNYLPHENYL)-4-PENTYL-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-ETHYNYLPHENYL)-4-PENTYL-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-ETHYNYLPHENYL)-4-PENTYL-
【CAS】
【MDL】
MFCD01677631
【English Synonyms】
【Formula】
C18 H22 O3
【MolWeight】
286.369
【Inchi】
InChI=1S/C18H22O3/c1-3-5-6-11-17-12-19-18(20-13-17,21-14-17)16-9-7-15(4-2)8-10-16/h2,7-10H,3,5-6,11-14H2,1H3/t17-,18+
【InChIKey】
InChIKey=MCVGRCRCHYKXQU-HDICACEKSA-N
【SMILES】
CCCCC[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, 1-(4-ETHYNYLPHENYL)-4-PENTYL-.cml