(E)-4-(1,3-dihydro-6-methoxy-4-methoxyethoxymethoxy-7-methyl-3-oxoisobenzofuran-5-yl)-2-methylbut-2-enyl bromide

HCID 67019128

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

관련 반응

4건

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