(-)-trans-(R)-allethrin
기본 정보
- CAS
23453-09-0- 표준 SMILES
C=CCC1=C(C)[C@H](OC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1=O- InChIKey
ZCVAOQKBXKSDMS-USXIJHARSA-N- 분자식
- C19H26O3
- 평균 분자량
- 302.4 g/mol
개요
(-)-trans-(R)-allethrin is a (-)-trans-allethrin. It is an enantiomer of a (+)-trans-(S)-allethrin.
이름 및 식별자
- 우선 이름
- (-)-trans-(R)-allethrin
- IUPAC
- cis-[(1R)-2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- 영어명
- (1S)-2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid (R)-1-methyl-2-allyl-3-oxocyclopentene-5-yl ester
- 분자식
- C19H26O3
- 분자량
- 302.41
이름 및 동의어
(-)-trans-(R)-allethrin(1R)-2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate(1R)-3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylateSCHEMBL5571231DTXSID6034502CHEBI:39121ZCVAOQKBXKSDMS-USXIJHARSA-NLMPR0102060010NCGC00168300-01(1R)-2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylateNS00127141Q27118150
이름 더 보기
(1S)-2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid (R)-1-methyl-2-allyl-3-oxocyclopentene-5-yl ester(1S)-2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid (5R)-1-methyl-2-allyl-3-oxocyclopentene-5β-yl ester(1S,2α)-2-(2-Methyl-1-propenyl)-3,3-dimethylcyclopropane-1-carboxylic acid (1R)-4-oxo-3-(2-propenyl)-2-methylcyclopenta-2-en-1-yl ester[1S,(-)]-2,2-Dimethyl-3β-(2-methyl-1-propenyl)cyclopropane-1α-carboxylic acid (R)-2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl esterCyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R)-2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester, (1S,3S)-
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-(2-propenyl)-2-cyclopenten-1-yl ester, (1.alpha.(S*),3.beta.)-(.+-).-
데이터베이스 식별자
- CAS
23453-09-0- ChEBI
CHEBI:39121- Nikkaji
- J245.687G
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 573
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
물리화학적 성질
- 끓는 점
- 386.767 · 386.767±42.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.052 · 1.052±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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