Methyl{4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetate
기본 정보
- 표준 SMILES
COC(=O)Cc1ccc(C#Cc2ccc(C3(OCC(C)(C)C)CC3)c(C)c2)cc1- InChIKey
RFFVULCGHXFAEB-UHFFFAOYSA-N- 분자식
- C26H30O3
- 평균 분자량
- 390.5 g/mol
이름 및 식별자
- 우선 이름
- Methyl{4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetate
- IUPAC
- methyl 2-[4-[2-[4-[1-(2,2-dimethylpropoxy)cyclopropyl]-3-methylphenyl]ethynyl]phenyl]acetate
이름 및 동의어
Methyl {4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl]-acetatemethyl {4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetateRFFVULCGHXFAEB-UHFFFAOYSA-Nmethyl{4-[4-[l-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetatemethyl {4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3 methyl-phenylethynyl]-phenyl}-acetatemethyl {4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl }-acetatemethyl{4-[4-[1-(2,2-dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetate
데이터베이스 식별자
- PubChem CID
- 86585926
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 619
관련 반응
27건
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