Chem
J-GLOBAL ID:200907000956302412   Nikkaji number:J788.658F

2α,6,6-Trimethyl-2-(3-ethoxypropoxy)-3-[3-(methylthio)propoxy]bicyclo[3.1.1]heptane

2α,6,6-トリメチル-2-(3-エトキシプロポキシ)-3-[3-(メチルチオ)プロポキシ]ビシクロ[3.1.1]ヘプタン
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: C19H36O3S
Molecular formula furigana: C19-H36-O3-S
Molecular weight: 344.550
InChI: InChI=1S/C19H36O3S/c1-6-20-9-7-11-22-19(4)16-13-15(18(16,2)3)14-17(19)21-10-8-12-23-5/h15-17H,6-14H2,1-5H3/t15?,16?,17?,19-/m1/s1
InChI key: NKHJGWBJGWHNIP-MAGNIPBMSA-N
SMILES: CCOCCCO[C@]1(C)C2CC(CC1OCCCSC)C2(C)C
Systematic name  (3):
  • 2α,6,6-トリメチル-2-(3-エトキシプロポキシ)-3-[3-(メチルチオ)プロポキシ]ビシクロ[3.1.1]ヘプタン
  • (2R)-2-(3-エトキシプロポキシ)-2,6,6-トリメチル-3-[3-(メチルスルファニル)プロポキシ]ビシクロ[3.1.1]ヘプタン
  • (2R)-2-(3-ethoxypropoxy)-2,6,6-trimethyl-3-[3-(methylsulfanyl)propoxy]bicyclo[3.1.1]heptane
Other name (1):
  • 2α,6,6-Trimethyl-2-(3-ethoxypropoxy)-3-[3-(methylthio)propoxy]bicyclo[3.1.1]heptane
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