기본 정보
- CAS
299451-29-9- 표준 SMILES
CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)cc2)C2=C(CC(C)(C)CC2=O)N1- InChIKey
KMFVNFXVGWOUQZ-UHFFFAOYSA-N- 분자식
- C26H33NO3
- 평균 분자량
- 407.5 g/mol
- 단동위원소 질량
- 407.24604391
이름 및 식별자
- 우선 이름
- Cyclohexyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclohexyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- cyclohexyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- 분자식
- C26H33NO3
- 분자량
- 407.54512
이름 및 동의어
cyclohexyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylatecyclohexyl 2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylateOprea1_191017Oprea1_359469SCHEMBL16854538MFCD00753240STK002123AKOS000573118AKOS021984980ST013236ZINC000004061892ZINC000004061900
이름 더 보기
CYCLOHEXYL 2,7,7-TRIMETHYL-4-(4-METHYLPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
EU-0035208AG-690/10381036SR-01000403679SR-01000403679-1Cc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OC1CCCCC1CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)Ccyclohexyl277trimethyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylatecyclohexyl277trimethyl4(4methylphenyl)5oxo1468tetrahydroquinoline3carboxylate
데이터베이스 식별자
- CAS
299451-29-9- PubChem CID
- 3105954
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 761
화학 및 산업
공급사2 곳
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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