기본 정보
- CAS
472981-86-5- 표준 SMILES
COc1ccc(C2C(C(=O)OC(C)C)C(=O)CC(C)(O)C2C(=O)OC(C)C)cc1- InChIKey
IMKXAEVDHUDFDQ-UHFFFAOYSA-N- 분자식
- C22H30O7
- 평균 분자량
- 406.5 g/mol
이름 및 식별자
- 우선 이름
- Dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- IUPAC
- dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
- 영어명
- diisopropyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
- 분자식
- C22H30O7
- 분자량
- 406.47
이름 및 동의어
dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate472981-86-5CBMicro_012299Oprea1_213714Oprea1_835002SMSF0010576STK841339AKOS000566657AKOS022007554CB15500CCG-115030BIM-0012182.P001
이름 더 보기
1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-, 1,3-bis(1-methylethyl) ester
EU-0082184ST50008574AG-690/13704355diisopropyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylatediisopropyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylatediisopropyl 6-hydroxy-2-(4-methoxyphenyl)-6-methyl-4-oxocyclohexane-1,3-dicarboxylate1,3-BIS(PROPAN-2-YL) 4-HYDROXY-2-(4-METHOXYPHENYL)-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATEmethylethyl 2-hydroxy-6-(4-methoxyphenyl)-2-methyl-5-[(methylethyl)oxycarbonyl ]-4-oxocyclohexanecarboxylate
데이터베이스 식별자
- CAS
472981-86-5
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 99.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 606
물리화학적 성질
- 녹는점
- 164 · 164-166 °C(Solv: isopropanol (67-63-0))
- 끓는 점
- 526.5 · 526.5±50.0 °C(Predicted)
- 밀도
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.66 · 10.66±0.70(Predicted)
화학 및 산업
공급사3 곳
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…