5452-61-9
ALL-TRANS-ETHYL-BETA-IONYLIDEACETATE
NameALL-TRANS-ETHYL-BETA-IONYLIDEACETATE
1Identification
【Name】
ALL-TRANS-ETHYL-BETA-IONYLIDEACETATE
【CAS】
【MDL】
MFCD09840596
【English Synonyms】
【Formula】
C17 H26 O2
【MolWeight】
262.39
【Inchi】
InChI=1S/C17H26O2/c1-6-19-16(18)12-13(2)9-10-15-14(3)8-7-11-17(15,4)5/h9-10,12H,6-8,11H2,1-5H3/b10-9+,13-12+
【InChIKey】
InChIKey=DNGMNNGDXRUXFV-OKLKQMLOSA-N
【SMILES】
CCOC(=O)/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
【MOL File】
ALL-TRANS-ETHYL-BETA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ALL-TRANS-ETHYL-BETA-IONYLIDEACETATE.cml