845293-94-9
BICYCLO[2.2.2]OCT-5-EN-2-ONE, 7-ETHENYL-3,3-DIMETHYL-, (1R,4R,7S)-REL-
NameBICYCLO[2.2.2]OCT-5-EN-2-ONE, 7-ETHENYL-3,3-DIMETHYL-, (1R,4R,7S)-REL-
1Identification
【Name】
BICYCLO[2.2.2]OCT-5-EN-2-ONE, 7-ETHENYL-3,3-DIMETHYL-, (1R,4R,7S)-REL-
【CAS】
【MDL】
MFCD17017871
【English Synonyms】
【Formula】
C12H14O
【MolWeight】
174.242
【Inchi】
InChI=1S/C12H14O/c1-4-9-6-10-7(2)5-11(9)12(13)8(10)3/h4-5,9-11H,1,3,6H2,2H3/t9-,10+,11+/m1/s1
【InChIKey】
InChIKey=WHRSMEODMPJZTO-VWYCJHECSA-N
【SMILES】
[H][C@]12C[C@@H](C=C)[C@]([H])(C=C1C)C(=O)C2=C
【MOL File】
BICYCLO[2.2.2]OCT-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0151
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BICYCLO[2.2.2]OCT-5-EN-2-ONE, 7-ETHENYL-3,3-DIMETHYL-, (1R,4R,7S)-REL-.cml