2H-Thieno(2,3-c)(1)benzopyran-9-ol, 1,4-dihydro-7-(1,2-dimethylheptyl)-2,4,4-trimethyl-

HCID 3043883
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기본 정보

CAS
56291-44-2
표준 SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)S1
InChIKey
HDPKJWICBWVRGV-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)-2,4,4-trimethyl-
IUPAC
2,4,4-trimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-ol

이름 및 동의어

BRN 13264821,2-Dihydro-7-(1,2-dimethylheptyl)-2,4,4-trimethyl-9-hydroxy-4H-thieno(2,3-c)(1)benzopyran56291-44-21,4-Dihydro-7-(1,2-dimethylheptyl)-2,4,4-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)-2,4,4-trimethyl-RefChem:269263CHEMBL3276133SCHEMBL11794288DTXSID20971728HDPKJWICBWVRGV-UHFFFAOYSA-N2,4,4-Trimethyl-7-(3-methyloctan-2-yl)-1,4-dihydro-2H-thieno[2,3-c][1]benzopyran-9-ol1,2-Dihydro-2,4,4-trimethyl-9-hydroxy-7-(3-methyl-2-octyl)-4H-thieno-[2,3-c][1]benzopyran

데이터베이스 식별자

CAS
56291-44-2
PubChem CID
3043883
DTXSID
DTXSID20971728
ChEMBL
CHEMBL3276133

물성

구조 계산 물성

XLogP
6.8
극성 표면적
54.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
26

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