기본 정보
- 표준 SMILES
CCOC(=O)C(C)(C)Cc1cccc(C(=O)c2cccc(CC(C)(C)C(=O)OCC)c2)c1- InChIKey
STWOCIVTROKYMH-UHFFFAOYSA-N- 분자식
- C27H34O5
- 평균 분자량
- 438.6 g/mol
이름 및 식별자
- 우선 이름
- 3-{3-[3-(2-Ethoxycarbonyl-2-methylpropyl)-benzoyl]phenyl}-2,2-dimethylpropionic acid ethyl ester
- IUPAC
- ethyl 3-[3-[3-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoyl]phenyl]-2,2-dimethylpropanoate
이름 및 동의어
SCHEMBL186711STWOCIVTROKYMH-UHFFFAOYSA-N3-{3-[3-(2-ethoxycarbonyl-2-methyl-propyl)-benzoyl]-phenyl}-2,2-dimethyl -prop ionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methyl-propyl)-benzoyl]-phenyl}-2,2-dimethyl-propionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methyl-propyl)-benzoyl]-phenyl}-2,2-dimethylpropionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methylpropyl)-benzoyl]-phenyl}-2,2-dimethylpropionic acid ethyl ester3-{3-[3-(2-ethoxycarbonyl-2-methylpropyl)-benzoyl]phenyl}-2,2-dimethylpropionic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 11259192
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 69.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 596
관련 반응
16건
연결된 노트
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