131589-70-3
TRIMETHYL CIS,CIS-1,3,5-TRIPROPYL-1,3,5-CYCLOHEXANETRICARBOXYLATE
NameTRIMETHYL CIS,CIS-1,3,5-TRIPROPYL-1,3,5-CYCLOHEXANETRICARBOXYLATE
1Identification
【Name】
TRIMETHYL CIS,CIS-1,3,5-TRIPROPYL-1,3,5-CYCLOHEXANETRICARBOXYLATE
【CAS】
【MDL】
MFCD00274620
【English Synonyms】
【Formula】
C21 H36 O6
【MolWeight】
384.509
【Inchi】
InChI=1S/C21H36O6/c1-7-10-19(16(22)25-4)13-20(11-8-2,17(23)26-5)15-21(14-19,12-9-3)18(24)27-6/h7-15H2,1-6H3/t19-,20+,21-
【InChIKey】
InChIKey=AAQNYVRSASCAJP-WKCHPHFGSA-N
【SMILES】
CCC[C@@]1(C[C@@](C[C@@](C1)(CCC)C(=O)OC)(CCC)C(=O)OC)C(=O)OC
【MOL File】
TRIMETHYL CIS,CIS-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRIMETHYL CIS,CIS-1,3,5-TRIPROPYL-1,3,5-CYCLOHEXANETRICARBOXYLATE.cml