기본 정보
- CAS
304665-75-6- 표준 SMILES
CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(OCc3ccccc3)c2)C(=O)C1- InChIKey
AFMYPXRUXAYTFM-UHFFFAOYSA-N- 분자식
- C30H34O5
- 평균 분자량
- 474.6 g/mol
- 단동위원소 질량
- 474.24062418
이름 및 식별자
- 우선 이름
- 2-[(2-Hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- IUPAC
- 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- 영어명
- 2-[[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- 분자식
- C30H34O5
- 분자량
- 474.58796
이름 및 동의어
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(3-phenylmethoxyphenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione2-{[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl}-5,5-dimethylcyclohexane-1,3-dioneCBMicro_016618ChemDiv1_027726Oprea1_758808HMS665M06CCG-5218STK018761AKOS005378422ST111716BIM-0016400.P001EU-0051899
이름 더 보기
AK-968/11627111SR-01000521446SR-01000521446-12-[[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione2-[[3-(benzyloxy)phenyl](2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione304665-75-6
데이터베이스 식별자
- CAS
304665-75-6- PubChem CID
- 2838216
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 80.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 840
화학 및 산업
공급사1 곳
SPECS[email protected]
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