Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
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기본 정보
- 표준 SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3=O)cc1- InChIKey
RCXZVAFZECFUGZ-UHFFFAOYSA-N- 분자식
- C23H22O3
- 평균 분자량
- 346.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
이름 및 동의어
SCHEMBL5737002RCXZVAFZECFUGZ-UHFFFAOYSA-N4(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-ylethynyl)-benzoic acid ethyl ester4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)-benzoic acid ethyl esterethyl 4- [(5,6,7,8-tetrahydro-8,8-dimethyl -5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8,tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl )ethynyl]benzoateethyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl) ethynyl]benzoateEthyl 4-[(5,6,7,8-tetrahydro-8,8-dimethyl-5-oxonaphth-2-yl)ethynyl]benzoate4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-vl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydro-naphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
이름 더 보기
4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene -2-yl-ethynyl)-benzoic acid ethyl ester4-(8,8-Dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)-benzoic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 15345545
물성
구조 계산 물성보충 중
- XLogP
- 5.1
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 597
관련 반응
102건
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