56805-06-2
7-METHYL-1,4,5,6,7-PENTAPHENYL-7-SILABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID ETHYL ESTER
Name7-METHYL-1,4,5,6,7-PENTAPHENYL-7-SILABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
7-METHYL-1,4,5,6,7-PENTAPHENYL-7-SILABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD21609025
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C40 H36 O2 Si
【pro_molWeight】
576.808
【Inchi】
InChI=1S/C40H36O2Si/c1-3-42-38(41)35-29-39(32-23-13-6-14-24-32)36(30-19-9-4-10-20-30)37(31-21-11-5-12-22-31)40(35,33-25-15-7-16-26-33)43(39,2)34-27-17-8-18-28-34/h4-28,35H,3,29H2,1-2H3/t35?,39-,40-,43?/m1/s1
【InChIKey】
InChIKey=RUXZNYMVNYFBJS-SSIZQGIDSA-N
【SMILES】
CCOC(=O)C1C[C@]2(C(=C([C@@]1([Si]2(C)c3ccccc3)c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7
【MOL File】
7-METHYL-1,4,5,6,7-P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:12.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-METHYL-1,4,5,6,7-PENTAPHENYL-7-SILABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID ETHYL ESTER.cml