기본 정보
- 표준 SMILES
COCCOCOc1c(C/C=C(\C)CBr)c(OC)c(C)c2c1C(=O)OC2- InChIKey
XNCNAVKEPPDWMB-LFYBBSHMSA-N- 분자식
- C19H25BrO6
- 평균 분자량
- 429.3 g/mol
- 단동위원소 질량
- 428.08345
이름 및 식별자
- 우선 이름
- (E)-4-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl)-2-methylbut-2-enyl bromide
- IUPAC
- 6-[(E)-4-bromo-3-methylbut-2-enyl]-5-methoxy-7-(2-methoxyethoxymethoxy)-4-methyl-3H-2-benzofuran-1-one
이름 및 동의어
SCHEMBL1401082XNCNAVKEPPDWMB-LFYBBSHMSA-N(E)-4-(1,3-dihydro-6-methoxy -4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl)-2-methylbut2-enyl bromide(E)-4-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy-7-methyl -3-oxoisobenzofuran-5-yl)-2-methylbut-2-enyl bromide(E)-4-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl) -2-methylbut-2-enyl bromide(E)-4-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy7-methyl -3-oxoisobenzofuran-5-yl)-2-methylbut-2-enyl bromide
데이터베이스 식별자
- PubChem CID
- 67019128
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 63.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 483
관련 반응
4건
화합물 노트
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