기본 정보
- 표준 SMILES
COC(=O)C(C)(C)COS(=O)(=O)c1ccc(C)cc1- InChIKey
QDTQEKSCNKGNCD-UHFFFAOYSA-N- 분자식
- C13H18O5S
- 평균 분자량
- 286.35 g/mol
이름 및 식별자
- 우선 이름
- Methyl 3-(p-tolylsulfonyloxy)-2,2-dimethylpropanoate
- IUPAC
- methyl 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxypropanoate
이름 및 동의어
25255-56-5Methyl 2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propanoatemethyl2,2-dimethyl-3-[(4-methylbenzenesulfonyl)oxy]propanoatemethyl 3-(p-tolylsulfonyloxy)-2,2-dimethylpropanoatemethyl 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxypropanoateTsO-PIAMeMethyl 2,2-dimethyl-3-(tosyloxy)propanoateSCHEMBL275764QDTQEKSCNKGNCD-UHFFFAOYSA-NMFCD27964435methyl 2,2-dimethyl-3-tosyloxypropionateG79318
이름 더 보기
EN300-22038702Methyl 2,2-dimethyl-3-(4-tolylsulfonyloxy)propionateMethyl 2,2-dimethyl-3-(p-tolylsulfonyloxy)propanoatemethyl 2,2-dimethyl-3-(4-toluenesulfonyloxy)propionate2-(methoxycarbonyl)-2-methylpropyl 4-methylbenzenesulfonate2,2-dimethyl-3-(toluene-4-sulfonyloxy)-propionic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 22479327
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 78.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 399
관련 반응
20건
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