기본 정보
- 표준 SMILES
Cc1nc(C(C)(C)C)c(C(=O)C(C)(C)C)o1- InChIKey
YWCYMVSGKUGCRR-UHFFFAOYSA-N- 분자식
- C13H21NO2
- 평균 분자량
- 223.31 g/mol
이름 및 식별자
- 우선 이름
- 1-[4-(1,1-Dimethylethyl)-2-methyl-5-oxazolyl]-2,2-dimethyl-1-propanone
- IUPAC
- 1-(4-tert-butyl-2-methyl-1,3-oxazol-5-yl)-2,2-dimethylpropan-1-one
이름 및 동의어
SCHEMBL8614787YWCYMVSGKUGCRR-UHFFFAOYSA-N1-[4-(1,1-dimethylethyl) -2-methyl-5-oxazolyl]-2,2-dimethyl-1-propanone1-[4-(1,1-dimethylethyl)-2 methyl-5-oxazolyl]-2,2-dimethyl-1 propanone1-[4-(1,1-dimethylethyl)-2-methyl 5-oxazolyl]-2,2- dimethyl-1-propanone1-[4-(1,1-dimethylethyl)-2-methyl-5 oxazolyl]-2,2-dimethyl-1-propanone1-[4-(1,1-dimethylethyl)-2-methyl-5-oxazolyl]-2,2-dimethyl-1-propanone1-[4-(1,1-dimethylethyl)-2-methyl-5-oxazolyl]-2,2-dimethyl-l-propanone
데이터베이스 식별자
- PubChem CID
- 18925378
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 273
관련 반응
11건
화합물 노트
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