Methyl 1-(((4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)oxy)methyl)cyclopropanecarboxylate
기본 정보
- 표준 SMILES
COC(=O)C1(COc2cc(C)c(B3OC(C)(C)C(C)(C)O3)cn2)CC1- InChIKey
HNWYVKWEXGWVKU-UHFFFAOYSA-N- 분자식
- C18H26BNO5
- 평균 분자량
- 347.2 g/mol
이름 및 식별자
- 우선 이름
- Methyl 1-(((4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)oxy)methyl)cyclopropanecarboxylate
- IUPAC
- methyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylate
이름 및 동의어
1383001-34-0methyl 1-(((4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)oxy)methyl)cyclopropanecarboxylatemethyl 1-[[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxymethyl]cyclopropane-1-carboxylateSCHEMBL9936689HNWYVKWEXGWVKU-UHFFFAOYSA-NDB-109024methyl 1-({[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}-methyl)cyclopropanecarboxylatemethyl 1-({[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}methyl)cyclopropanecarboxylate
데이터베이스 식별자
- PubChem CID
- 67973514
물성
구조 계산 물성
- 극성 표면적
- 66.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 504
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