기본 정보
- CAS
314766-20-6- 표준 SMILES
CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)C(O)CO)C(=O)C1- InChIKey
FWHOAFPFQCIKGL-UHFFFAOYSA-N- 분자식
- C19H28O6
- 평균 분자량
- 352.4 g/mol
- 단동위원소 질량
- 352.18858861
이름 및 식별자
- 우선 이름
- 2-[2,3-Dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione
- IUPAC
- 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione
- 영어명
- 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedione
- 분자식
- C19H28O6
- 분자량
- 352.42
이름 및 동의어
2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-1,3-cyclohexanedioneCBDivE_001993Oprea1_249731HMS1785N20STK005358AKOS000487203AKOS0163521502-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione314766-20-6ST055046AN-329/07014061SR-01000195276
이름 더 보기
1,3-Cyclohexanedione, 2-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)propyl]-5,5-dimethyl-
SR-01000195276-12-[2,3-dihydroxy-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)propyl]-5,5-dimethylcyclohexane-1,3-dione2-[2,3-dihydroxy-1-(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)propyl]-5,5 -dimethylcyclohexane-1,3-dione
데이터베이스 식별자
- CAS
314766-20-6- PubChem CID
- 2827279
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 608
물리화학적 성질
- 끓는 점
- 573.5 · 573.5±50.0 °C(Predicted)
- 밀도
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.73 · 4.73±0.42(Predicted)
화학 및 산업
공급사2 곳
ARONIS[email protected]
SPECS[email protected]
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