기본 정보
- CAS
204244-85-9- 표준 SMILES
C#CCC1=C(C)[C@@H](OC(=O)[C@@H]2C(C=C(C)C)C2(C)C)CC1=O- InChIKey
SMKRKQBMYOFFMU-HGVHAKBWSA-N- 분자식
- C19H24O3
- 평균 분자량
- 300.4 g/mol
- 단동위원소 질량
- 300.17254462
이름 및 식별자
- 우선 이름
- (1S)-2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl (1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
- IUPAC
- [(1S)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- 현지명
- 프랄레트린
- 영어명
- PRALLETHRIN
- 분자식
- C19H24O3
- 분자량
- 300.39
이름 및 동의어
204244-85-9(1S)-2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl (1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylateRefChem:205140Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S)-2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester, (1R)-(1S)-2-methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl (1R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate[(1S)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-en-1-yl] (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateSCHEMBL24702741SMKRKQBMYOFFMU-HGVHAKBWSA-NDTXSID601104106AKOS015965055프랄레트린ETOC
이름 더 보기
ETOC(R)NYLAR(R)Rimantadine Impurity 13(S)-2-METHYL-4-OXO-3-(2-PROPYNYL)-CYCLOPENT-1-YL (1R)-CIS-TRANS-CHRYSANTHEMATE(S)-2-METHYL-4-OXO-3-PROP-2-YNYLCYCLOPENT-1-YL(1R)-CIS,TRANS-2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)-CYCLOPROPANECARBOXYLATECYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-(1S)-2-METHYL-4-OXO-3-(2-PROPENYL)-2-CYCLOPENTEN-1-YL ESTER, (1R)
데이터베이스 식별자
- CAS
204244-85-9- PubChem CID
- 13650222
- DTXSID
DTXSID601104106
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 620
물리화학적 성질
- 끓는 점
- 389.8 · 389.8±42.0 °C(Predicted)
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
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