기본 정보
- CAS
314284-02-1- 표준 SMILES
CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccc(O)cc2O)C(=O)C1- InChIKey
YOHDMGBLKYYXTO-UHFFFAOYSA-N- 분자식
- C23H28O6
- 평균 분자량
- 400.5 g/mol
- 단동위원소 질량
- 400.18858861
이름 및 식별자
- 우선 이름
- 2-[(2,4-Dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- IUPAC
- 2-[(2,4-dihydroxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- 영어명
- 2-[(2,4-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- 분자식
- C23H28O6
- 분자량
- 400.46
이름 및 동의어
Oprea1_164303Oprea1_416104STK049341AKOS000486579AKOS016352079CCG-112058ST055008EU-0045031UNM000000636101AG-690/34154063SR-01000493546SR-01000493546-1
이름 더 보기
2-[(2,4-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione1,3-Cyclohexanedione, 2-[(2,4-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-
2-[(2,4-dihydroxyphenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione2-[(2,4-dihydroxyphenyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)methyl ]-5,5-dimethylcyclohexane-1,3-dione2-[(2,4-dihydroxyphenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
데이터베이스 식별자
- CAS
314284-02-1- PubChem CID
- 3112673
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 726
물리화학적 성질
- 끓는 점
- 624.2 · 624.2±55.0 °C(Predicted)
- 밀도
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.61 · 4.61±0.42(Predicted)
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