기본 정보
- CAS
315672-61-8- 표준 SMILES
Cc1ccccc1C(C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O- InChIKey
NQAAYHFDCUETDW-UHFFFAOYSA-N- 분자식
- C24H30O4
- 평균 분자량
- 382.5 g/mol
- 단동위원소 질량
- 382.21440943
이름 및 식별자
- 우선 이름
- 2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- IUPAC
- 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- 영어명
- 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- 분자식
- C24H30O4
- 분자량
- 382.49
이름 및 동의어
2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione315672-61-8Oprea1_251936Oprea1_849115DTXSID701109066STK050300AKOS000488260AKOS0163522282-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dioneST055149SR-01000204257SR-01000204257-1
이름 더 보기
1,3-Cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(2-methylphenyl)methyl]-5,5-dimethyl-
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(2-methylphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(2-methylphenyl)methyl]-5,5 -dimethylcyclohexane-1,3-dione
데이터베이스 식별자
- CAS
315672-61-8- PubChem CID
- 2841124
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 71.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 692
물리화학적 성질
- 끓는 점
- 547.6 · 547.6±50.0 °C(Predicted)
- 밀도
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.76 · 4.76±0.42(Predicted)
화학 및 산업
공급사2 곳
ARONIS[email protected]
VITAS-BB—
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