(1 S,2R,3R,4R)-2-allyl-4-(tert-butyldimethylsilyloxy)-3-((R,E)-3-(triethylsilyloxy)-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)cyclopentyl hex-5-enoate (HCID 131733346)

기본 정보

표준 SMILES: C=CCCCC(=O)O[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C/[C@H](COc2cccc(C(F)(F)F)c2)O[Si](CC)(CC)CC)[C@H]1CC=C
InChIKey: BNHCPPRLBFWDQE-KMHHETDVSA-N
분자식: C37H59F3O5Si2
평균 분자량: 697 g/mol
단동위원소 질량: 696.38531253

이름 및 식별자

우선 이름: (1 S,2R,3R,4R)-2-allyl-4-(tert-butyldimethylsilyloxy)-3-((R,E)-3-(triethylsilyloxy)-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)cyclopentyl hex-5-enoate
IUPAC: [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enyl-3-[(E,3R)-3-triethylsilyloxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl] hex-5-enoate

이름 및 동의어

SCHEMBL16466845BNHCPPRLBFWDQE-KMHHETDVSA-N(1 S,2R,3R,4R)-2-allyl-4-(tert-butyldimethylsilyloxy)-3-((R,E)-3-(triethylsilyloxy)-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)cyclopentyl hex-5-enoate(1S,2R,3R,4R)-2-allyl-4-(tert-butyldimethylsilyloxy)-3-((R,E)-3-(triethylsilyloxy)-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)cyclopentyl hex-5-enoate

데이터베이스 식별자

PubChem CID: 131733346

물성

구조 계산 물성

극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 21
무거운 원자 수: 47
형식 전하: 0
복잡도: 997

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