845293-91-6
BICYCLO[2.2.2]OCT-5-EN-2-OL, 7-ETHENYL-5-METHYL-3-METHYLENE-, (1R,4S,7R)-REL-
NameBICYCLO[2.2.2]OCT-5-EN-2-OL, 7-ETHENYL-5-METHYL-3-METHYLENE-, (1R,4S,7R)-REL-
1Identification
【Name】
BICYCLO[2.2.2]OCT-5-EN-2-OL, 7-ETHENYL-5-METHYL-3-METHYLENE-, (1R,4S,7R)-REL-
【CAS】
【MDL】
MFCD17017870
【English Synonyms】
【Formula】
C12H16O
【MolWeight】
176.257
【Inchi】
InChI=1S/C12H16O/c1-4-9-6-10-7(2)5-11(9)12(13)8(10)3/h4-5,9-13H,1,3,6H2,2H3/t9-,10-,11-,12?/m0/s1
【InChIKey】
InChIKey=BBGGCWBENMWXKD-XOGOEWOHSA-N
【SMILES】
[H][C@]12C=C(C)[C@]([H])(C[C@@H]1C=C)C(=C)C2O
【MOL File】
BICYCLO[2.2.2]OCT-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:3.5335
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BICYCLO[2.2.2]OCT-5-EN-2-OL, 7-ETHENYL-5-METHYL-3-METHYLENE-, (1R,4S,7R)-REL-.cml