기본 정보
- CAS
56291-41-9- 표준 SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C(C)CS1- InChIKey
YHLYCRRAQSELEI-UHFFFAOYSA-N- 분자식
- C23H34O2S
- 평균 분자량
- 374.6 g/mol
- 단동위원소 질량
- 374.2279515
이름 및 식별자
- 우선 이름
- 2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-1,4,4-trimethyl-
- IUPAC
- 1,4,4-trimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-ol
이름 및 동의어
BRN 13265481,2-Dihydro-1,4,4-trimethyl-7-(1,2-dimethylheptyl)-9-hydroxy-4H-thieno(2,3-c)(1)benzopyran56291-41-91,4-Dihydro-7-(1,2-dimethylheptyl)-1,4,4-trimethyl-2H-thieno(2,3-c)(1)benzopyran-9-ol2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-1,4,4-trimethyl-RefChem:269261CHEMBL3276132SCHEMBL11792827DTXSID00971726YHLYCRRAQSELEI-UHFFFAOYSA-N1,4,4-Trimethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-ol1,2-dihydro-9-hydroxy-7-(3-methyl-2-octyl)-1,4,4,-trimethyl-4H-thieno[2,3-c][1]benzopyran
이름 더 보기
1,2-dihydro-9-hydroxy-7-(3-methyl-2-octyl)-1,4,4-trimethyl-4H-thieno[2,3-c][1]benzopyran
데이터베이스 식별자
- CAS
56291-41-9- PubChem CID
- 3043881
- DTXSID
DTXSID00971726- ChEMBL
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 54.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 526
관련 반응
2건
화합물 노트
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