CAS 189954-66-3 5,5-Dimethyl-3-(1-methylethoxy)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone (HCID 9840237)

기본 정보

CAS: 189954-66-3
표준 SMILES: CC(C)OC1=C(c2ccc(S(C)(=O)=O)cc2)C(C)(C)OC1=O
InChIKey: ONJHHYBWKLDIFI-UHFFFAOYSA-N
분자식: C16H20O5S
평균 분자량: 324.4 g/mol

이름 및 식별자

우선 이름: 5,5-Dimethyl-3-(1-methylethoxy)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
IUPAC: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-one

이름 및 동의어

F2R32BF2CHUNII-F2R32BF2CHCHEMBL10345189954-66-35,5-Dimethyl-3-(1-methylethoxy)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone2(5H)-Furanone, 5,5-dimethyl-3-(1-methylethoxy)-4-(4-(methylsulfonyl)phenyl)-5,5-dimethyl-3-(1-methylethoxy)-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanoneSCHEMBL677786ONJHHYBWKLDIFI-UHFFFAOYSA-NBDBM50080081DB-1961685,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(2-propoxy)-5H-furanone

이름 더 보기

3-Isopropoxy-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(2-propoxy)-5h-furan-2-one5.5-dimethyl-4-(4-methylsulfonylphenyl)-3-(2-propoxy)-5h-furan-2-one

데이터베이스 식별자

CAS: 189954-66-3
PubChem CID: 9840237
ChEMBL: CHEMBL10345
UNII: F2R32BF2CH
Nikkaji: J1.153.111C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 572

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