939793-11-0
2-(3,8-DIMETHYL-NONA-3,7-DIENYL)-2-METHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
Name2-(3,8-DIMETHYL-NONA-3,7-DIENYL)-2-METHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
1Identification
【Name】
2-(3,8-DIMETHYL-NONA-3,7-DIENYL)-2-METHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE
【CAS】
【MDL】
MFCD08752368
【English Synonyms】
【Formula】
C21 H30 O2
【MolWeight】
314.466
【Inchi】
InChI=1S/C21H30O2/c1-16(2)8-5-6-9-17(3)12-14-21(4)15-13-18-19(22)10-7-11-20(18)23-21/h8-9,13,15H,5-7,10-12,14H2,1-4H3/b17-9+
【InChIKey】
InChIKey=LMGHOOQOKDPHHC-RQZCQDPDSA-N
【SMILES】
CC(=CCC/C=C(\C)/CCC1(C=CC2=C(O1)CCCC2=O)C)C
【MOL File】
2-(3,8-DIMETHYL-NONA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3,8-DIMETHYL-NONA-3,7-DIENYL)-2-METHYL-2,6,7,8-TETRAHYDRO-CHROMEN-5-ONE.cml