Chem
J-GLOBAL ID：201507025105773986   Nikkaji number：J3.381.030J

1-Propyl-2,3-bis(methoxymethyl)-4-phenyl-5β-tert-butyl-5-(phenylethynyl)-5H-dibenzosilole

1-プロピル-2,3-ビス(メトキシメチル)-4-フェニル-5β-tert-ブチル-5-(フェニルエチニル)-5H-ジベンゾシロール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H40O2Si
Molecular formula furigana： C37-H40-O2-SI
Molecular weight： 544.810
InChI： InChI=1S/C37H40O2Si/c1-7-16-29-31(25-38-5)32(26-39-6)34(28-19-12-9-13-20-28)36-35(29)30-21-14-15-22-33(30)40(36,37(2,3)4)24-23-27-17-10-8-11-18-27/h8-15,17-22H,7,16,25-26H2,1-6H3/t40-/m0/s1
InChI key： KTIOYLCVENHUPU-FAIXQHPJSA-N
SMILES： CCCc1c2c3ccccc3[Si@@](C#Cc3ccccc3)(c2c(c2ccccc2)c(COC)c1COC)C(C)(C)C
Systematic name  (4)：
  • (5R)-1-プロピル-2,3-ビス(メトキシメチル)-4-フェニル-5α-(フェニルエチニル)-5-tert-ブチル-5H-ジベンゾシロール
  • 1-プロピル-2,3-ビス(メトキシメチル)-4-フェニル-5β-tert-ブチル-5-(フェニルエチニル)-5H-ジベンゾシロール
  • (8R)-8-tert-ブチル-4,5-ビス(メトキシメチル)-6-フェニル-8-(2-フェニルエチニル)-3-プロピル-8-シラトリシクロ[7.4.0.02,7]トリデカ-1(13),2,4,6,9,11-ヘキサエン
  • (8R)-8-tert-butyl-4,5-bis(methoxymethyl)-6-phenyl-8-(2-phenylethynyl)-3-propyl-8-silatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
Other name (2)：
  • (5R)-1-Propyl-2,3-bis(methoxymethyl)-4-phenyl-5α-(phenylethynyl)-5-tert-butyl-5H-dibenzosilole
  • 1-Propyl-2,3-bis(methoxymethyl)-4-phenyl-5β-tert-butyl-5-(phenylethynyl)-5H-dibenzosilole
Thsaurus map：
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