67845-30-1
7-FORMYL-5-ISOPROPYL-2-METHYLBICYCLO(2.2.2)OCT-2-ENE
Name7-FORMYL-5-ISOPROPYL-2-METHYLBICYCLO(2.2.2)OCT-2-ENE
1Identification
【Name】
7-FORMYL-5-ISOPROPYL-2-METHYLBICYCLO(2.2.2)OCT-2-ENE
【CAS】
【MDL】
MFCD00169842
【English Synonyms】
【Formula】
C13 H20 O
【MolWeight】
192.3
【Inchi】
InChI=1S/C13H20O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,7-8,10-13H,5-6H2,1-3H3/t10-,11?,12?,13+/m1/s1
【InChIKey】
InChIKey=OWFZJSXGDOTWSH-XVSSEFHLSA-N
【SMILES】
CC1=C[C@@H]2CC([C@H]1CC2C(C)C)C=O
【MOL File】
7-FORMYL-5-ISOPROPYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-FORMYL-5-ISOPROPYL-2-METHYLBICYCLO(2.2.2)OCT-2-ENE.cml