108614-30-8
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-(2,2-DIMETHYLPROPYL)-1-(4-ETHYNYLPHENYL)-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-(2,2-DIMETHYLPROPYL)-1-(4-ETHYNYLPHENYL)-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 4-(2,2-DIMETHYLPROPYL)-1-(4-ETHYNYLPHENYL)-
【CAS】
【MDL】
MFCD01677666
【English Synonyms】
【Formula】
C18 H22 O3
【MolWeight】
286.369
【Inchi】
InChI=1S/C18H22O3/c1-5-14-6-8-15(9-7-14)18-19-11-17(12-20-18,13-21-18)10-16(2,3)4/h1,6-9H,10-13H2,2-4H3/t17-,18+
【InChIKey】
InChIKey=VXQAPGCBJDOBGN-HDICACEKSA-N
【SMILES】
CC(C)(C)C[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-(2,2-DIMETHYLPROPYL)-1-(4-ETHYNYLPHENYL)-.cml