기본 정보
- 표준 SMILES
COCCCN(CCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C- InChIKey
ROLHTUGLWUZUER-UHFFFAOYSA-N- 분자식
- C24H40BNO5
- 평균 분자량
- 433.4 g/mol
- 단동위원소 질량
- 433.2999535
이름 및 식별자
- 우선 이름
- (3-Methoxy-propyl)-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-(3-methoxypropyl)-N-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]carbamate
이름 및 동의어
1318792-82-3(3-Methoxy-propyl)-3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl-carbamic acid tert-butyl estertert-butyl (3-methoxypropyl){3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}carbamatetert-butyl N-(3-methoxypropyl)-N-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl]carbamatetert-Butyl N-(3-methoxypropyl)-N-{3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propyl}carbamateSCHEMBL407627ROLHTUGLWUZUER-UHFFFAOYSA-NCS-0177713A1-09797(3-Methoxy-propyl)-{3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-carbamic acid tert-butyl ester(3-Methoxypropyl)-{3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propyl}-carbamic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 58065590
물성
구조 계산 물성
- 극성 표면적
- 57.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 551
관련 반응
4건
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