기본 정보
- 표준 SMILES
COC(=O)Cc1ccc(C#Cc2ccc(COC3(C)CC3)c(C(C)C)c2)cc1- InChIKey
XRYOUPUYXGUZMN-UHFFFAOYSA-N- 분자식
- C25H28O3
- 평균 분자량
- 376.5 g/mol
이름 및 식별자
- 우선 이름
- Methyl{4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl)-phenyl}-acetate
- IUPAC
- methyl 2-[4-[2-[4-[(1-methylcyclopropyl)oxymethyl]-3-propan-2-ylphenyl]ethynyl]phenyl]acetate
이름 및 동의어
methyl{4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl)-phenyl}-acetatemethyl{4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl]-phenyl}-acetateXRYOUPUYXGUZMN-UHFFFAOYSA-NMethyl {4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl] phenyl}-acetatemethyl {4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl]-phenyl }-acetatemethyl {4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl]-phenyl} -acetateMethyl {4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl]-phenyl}-acetatemethyl{4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl]-phenyl }-acetate
데이터베이스 식별자
- PubChem CID
- 86585939
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 583
관련 반응
25건
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