기본 정보
- CAS
7597-87-7- 표준 SMILES
CC(C)=CC1C(C(=O)OCCC(COC(=O)C2C(C=C(C)C)C2(C)C)Cc2ccc3c(c2)OCO3)C1(C)C- InChIKey
ZDDYASQBCXATLL-UHFFFAOYSA-N- 분자식
- C32H44O6
- 평균 분자량
- 524.7 g/mol
- 단동위원소 질량
- 524.31378912
이름 및 식별자
- 우선 이름
- [3-(1,3-Benzodioxol-5-ylmethyl)-4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxybutyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- IUPAC
- [3-(1,3-benzodioxol-5-ylmethyl)-4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxybutyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- 영어명
- [2-(benzo[1,3]dioxol-5-ylmethyl)-4-[2,2-dimethyl-3-(2-methylprop-1-eny l)cyclopropanecarbonyl]oxy-butyl] 2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropane-1-carboxylate
- 분자식
- C32H44O6
- 분자량
- 524.69
이름 및 동의어
7597-87-7NSC15740[3-(1,3-benzodioxol-5-ylmethyl)-4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]oxybutyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylateDTXSID90280177NSC-157402-[(2H-1,3-Benzodioxol-5-yl)methyl]butane-1,4-diyl bis[2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate]Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-(1,3-benzodioxol-5-ylmethyl)-1,4-butanediyl ester (9CI)[2-(benzo[1,3]dioxol-5-ylmethyl)-4-[2,2-dimethyl-3-(2-methylprop-1-eny l)cyclopropanecarbonyl]oxy-butyl] 2,2-dimethyl-3-(2-methylprop-1-enyl) cyclopropane-1-carboxylate
데이터베이스 식별자
- CAS
7597-87-7- PubChem CID
- 225896
- DTXSID
DTXSID90280177
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 71.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 938
물리화학적 성질
- 끓는 점
- 593.3 · 593.3±50.0 °C(Predicted)
- 밀도
- 1.15 · 1.150±0.06 g/cm3(Predicted)
화학 및 산업
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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