(4'-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

HCID 57709095

기본 정보

표준 SMILES
CCC(CC)(c1ccc(C#CC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1
InChIKey
JTIQCNNHFQUKGD-UHFFFAOYSA-N
분자식
C38H48O3Si
평균 분자량
580.9 g/mol
단동위원소 질량
580.33727192

이름 및 식별자

우선 이름
(4'-{1-Ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester
IUPAC
methyl 2-[4-[2-methyl-4-[3-[3-methyl-4-[2-(1-trimethylsilyloxycyclopentyl)ethynyl]phenyl]pentan-3-yl]phenyl]phenyl]acetate

이름 및 동의어

SCHEMBL1525137JTIQCNNHFQUKGD-UHFFFAOYSA-N(4'-{1-ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid Methyl Ester(4'-{1-ethyl-1-[3-methyl-4-(1-trimethylsilanyloxy-cyclopentylethynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

데이터베이스 식별자

PubChem CID
57709095

물성

구조 계산 물성

극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
12
무거운 원자 수
42

관련 반응

4건

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