4-(1-{4-[(Bicyclo[4.1.0]hept-7-ylcarbonyl)oxy]-5-isopropyl-2-methylphenyl}-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2-isopropyl-5-methylphenyl bicyclo[4.1.0]heptane-7-carboxylate
기본 정보
- CAS
313343-39-4- 표준 SMILES
Cc1cc(OC(=O)C2C3CCCCC32)c(C(C)C)cc1C1(c2cc(C(C)C)c(OC(=O)C3C4CCCCC43)cc2C)OC(=O)c2ccccc21- InChIKey
GQUCODPQLUPVCR-UHFFFAOYSA-N- 분자식
- C44H50O6
- 평균 분자량
- 674.9 g/mol
이름 및 식별자
- 우선 이름
- 4-(1-{4-[(Bicyclo[4.1.0]hept-7-ylcarbonyl)oxy]-5-isopropyl-2-methylphenyl}-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2-isopropyl-5-methylphenyl bicyclo[4.1.0]heptane-7-carboxylate
- IUPAC
- [4-[1-[4-(bicyclo[4.1.0]heptane-7-carbonyloxy)-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] bicyclo[4.1.0]heptane-7-carboxylate
- 영어명
- (3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(2-isopropyl-5-methyl-4,1-phenylene) bisbicyclo[4.1.0]heptane-7-carboxylate
- 분자식
- C44H50O6
- 분자량
- 674.86
이름 및 동의어
4-(1-{4-[(bicyclo[4.1.0]hept-7-ylcarbonyl)oxy]-5-isopropyl-2-methylphenyl}-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2-isopropyl-5-methylphenyl bicyclo[4.1.0]heptane-7-carboxylateSCHEMBL14095187STK088366AKOS000483077AKOS022084312[4-[1-[4-(bicyclo[4.1.0]heptane-7-carbonyloxy)-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] bicyclo[4.1.0]heptane-7-carboxylateST054953AN-329/40099095(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl bisbicyclo[4.1.0]heptane-7-carboxylate4-{1-[4-bicyclo[4.1.0]hept-7-ylcarbonyloxy-2-methyl-5-(methylethyl)phenyl]-3-o xohydroisobenzofuranyl}-5-methyl-2-(methylethyl)phenyl bicyclo[4.1.0]heptane-7 -carboxylate(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(2-isopropyl-5-methyl-4,1-phenylene) bisbicyclo[4.1.0]heptane-7-carboxylateBicyclo[4.1.0]heptane-7-carboxylic acid, (3-oxo-1(3H)-isobenzofuranylidene)bis[5-methyl-2-(1-methylethyl)-4,1-phenylene] ester (9CI)
물성
구조 계산 물성
- XLogP
- 11.4
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,190
관련 반응
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