(E)-4-(4-{1-ethyl-1-[3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-1,1,1-trifluoro-2-trifluoromethyl-3-buten-2-ol
기본 정보
- 표준 SMILES
CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1- InChIKey
CHQFFHSHNNMWQU-FOCLMDBBSA-N- 분자식
- C30H37BF6O3
- 평균 분자량
- 570.4 g/mol
- 단동위원소 질량
- 570.2739942
이름 및 식별자
- 우선 이름
- (E)-4-(4-{1-ethyl-1-[3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-1,1,1-trifluoro-2-trifluoromethyl-3-buten-2-ol
- IUPAC
- (E)-1,1,1-trifluoro-4-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]-2-(trifluoromethyl)but-3-en-2-ol
이름 및 동의어
(E)-4-(4-{1-ethyl-1-[3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-2-methyl-phenyl)-1,1,1-trifluoro-2-trifluoromethyl-3-buten-2-olSCHEMBL1525830
데이터베이스 식별자
- PubChem CID
- 57708964
물성
구조 계산 물성
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 865
관련 반응
8건
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