기본 정보
- 표준 SMILES
CCC(CC)(c1ccc(CCC(OCOC)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1- InChIKey
KUKBXUGQMJGSIT-UHFFFAOYSA-N- 분자식
- C32H43BF6O4
- 평균 분자량
- 616.5 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
- IUPAC
- 4,4,5,5-tetramethyl-2-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-(methoxymethoxy)-3-(trifluoromethyl)butyl]phenyl]pentan-3-yl]phenyl]-1,3,2-dioxaborolane
이름 및 동의어
2-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneSCHEMBL15252312-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane
데이터베이스 식별자
- PubChem CID
- 57708917
물성
구조 계산 물성
- 극성 표면적
- 36.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 873
관련 반응
4건
화합물 노트
불러오는 중…