108613-94-1
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3,3-DIMETHYL-1-BUTYNYL)PHENYL)-4-PROPYL-
Name2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3,3-DIMETHYL-1-BUTYNYL)PHENYL)-4-PROPYL-
1Identification
【Name】
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3,3-DIMETHYL-1-BUTYNYL)PHENYL)-4-PROPYL-
【CAS】
【MDL】
MFCD01677663
【English Synonyms】
【Formula】
C20 H26 O3
【MolWeight】
314.422
【Inchi】
InChI=1S/C20H26O3/c1-5-11-19-13-21-20(22-14-19,23-15-19)17-8-6-16(7-9-17)10-12-18(2,3)4/h6-9H,5,11,13-15H2,1-4H3/t19-,20+
【InChIKey】
InChIKey=GJWLNQKYDPWQPK-BGYRXZFFSA-N
【SMILES】
CCC[C@]12CO[C@](OC1)(OC2)c3ccc(cc3)C#CC(C)(C)C
【MOL File】
2,6,7-TRIOXABICYCLO(….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
2,6,7-TRIOXABICYCLO(2.2.2)OCTANE, 1-(4-(3,3-DIMETHYL-1-BUTYNYL)PHENYL)-4-PROPYL-.cml