기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)[C@@H]1[C@H](/C=C\C(=O)O)C1(C)C- InChIKey
YIVJRKZSTYBSBJ-NCXBPJTESA-N- 분자식
- C13H20O4
- 평균 분자량
- 240.29 g/mol
이름 및 식별자
- 우선 이름
- tert.-butyl(1R,cis)2,2-dimethyl-3-[Z-2-carboxy-ethenyl]cyclopropane-carboxylate
- IUPAC
- (Z)-3-[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]prop-2-enoic acid
이름 및 동의어
YIVJRKZSTYBSBJ-NCXBPJTESA-N1,1-dimethylethyl (1R,cis) 2,2-dimethyl-3-[(Z) 2-carboxyethenyl]-cyclopropane-carboxylate1,1-dimethylethyl(1R,cis)2,2-dimethyl-3-[(Z)2-carboxyethenyl]-cyclopropane-carboxylatetert.-butyl (1R,cis) 2,2-dimethyl-3-[Z-2-carboxy-ethenyl]-cyclopropane-carboxylatetert.-butyl (1R,cis) 2,2-dimethyl-3-[Z-2-carboxyethenyl]-cyclopropane-carboxylatetert.-butyl(1R,cis)2,2-dimethyl-3-[(Z)3-hydroxy-3-oxo-1-propenyl]-cyclopropane-carboxylatetert.-butyl(1R,cis)2,2-dimethyl-3-[Z-2-carboxy-ethenyl]cyclopropane-carboxylatetert.-butyl(1R,cis)2,2-dimethyl-3-[Z-2-carboxyethenyl]-cyclopropane-carboxylatetert.-butyl (1R,cis) 2,2-dimethyl-3-[(Z) 3-hydroxy-3-oxo-1-propenyl]-cyclopropane-carboxylate
데이터베이스 식별자
- PubChem CID
- 12807775
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 360
관련 반응
11건
화합물 노트
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