Methyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetate
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기본 정보
- 표준 SMILES
COC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3O)cc1- InChIKey
PGGLJAGGQGKMAO-UHFFFAOYSA-N- 분자식
- C23H24O3
- 평균 분자량
- 348.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetate
- IUPAC
- methyl 2-[4-[2-(5-hydroxy-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-yl)ethynyl]phenyl]acetate
이름 및 동의어
PGGLJAGGQGKMAO-UHFFFAOYSA-NMethyl [4-( 5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetateMethyl [4-(5-hydroxy-8 8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen -2-ylethynyl)-phenyl]-acetateMethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetatemethyl [4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-phenyl]-acetatemethyl[4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl-ethynyl)-phenyl]-acetatemethyl[4-(5-hydroxy-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ylethynyl)-phenyl]-acetate
데이터베이스 식별자
- PubChem CID
- 86585937
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 558
관련 반응
32건
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