798554-34-4
2-OXABICYCLO[3.2.1]OCTAN-3-ONE, 4-ETHYLIDENE-1,8,8-TRIMETHYL-, (1R,4E,5S)-
Name
2-OXABICYCLO[3.2.1]OCTAN-3-ONE, 4-ETHYLIDENE-1,8,8-TRIMETHYL-, (1R,4E,5S)-
Formula
C12 H18 O2
MolWeight
194.272
1Identification
【Name】
2-OXABICYCLO[3.2.1]OCTAN-3-ONE, 4-ETHYLIDENE-1,8,8-TRIMETHYL-, (1R,4E,5S)-
【CAS】
【MDL】
MFCD18832994
【English Synonyms】
【Formula】
C12 H18 O2
【MolWeight】
194.272
【Inchi】
InChI=1S/C12H18O2/c1-5-8-9-6-7-12(4,11(9,2)3)14-10(8)13/h5,9H,6-7H2,1-4H3/b8-5+/t9-,12-/m1/s1
【InChIKey】
InChIKey=OLRUQJLTFXSSQO-GAVOXZQTSA-N
【SMILES】
C/C=C/1\[C@H]2CC[C@](C2(C)C)(OC1=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F