기본 정보
- CAS
70969-65-2- 표준 SMILES
CC(C)CCCCCOCC(COCC(C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C- InChIKey
JUBIFMWZLINJMF-UHFFFAOYSA-N- 분자식
- C50H94O10
- 평균 분자량
- 855.3 g/mol
- 단동위원소 질량
- 854.68469919
이름 및 식별자
- 우선 이름
- Isooctanoic acid, 1,1'-[2-[[3-[(1-oxoisooctyl)oxy]-2,2-bis[[(1-oxoisooctyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] ester
- IUPAC
- [2-[[2,2-bis(6-methylheptanoyloxymethyl)-3-(6-methylheptoxy)propoxy]methyl]-2-methyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate
이름 및 동의어
Dipentaerythritol hexaisooctanoateDipentaerythritol, hexaisooctanoate70969-65-2Isooctanoic acid, 1,1'-(2-((3-((1-oxoisooctyl)oxy)-2,2-bis(((1-oxoisooctyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) esterIsooctanoic acid, 2-((3-((1-oxoisooctyl)oxy)-2,2-bis(((1-oxoisooctyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl esterIsooctanoic acid, 1,1'-[2-[[3-[(1-oxoisooctyl)oxy]-2,2-bis[[(1-oxoisooctyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] esterRefChem:149652DTXSID10991273JUBIFMWZLINJMF-UHFFFAOYSA-N2-{[(6-Methylheptyl)oxy]methyl}-2-[(2-methyl-3-[(6-methylheptanoyl)oxy]-2-{[(6-methylheptanoyl)oxy]methyl}propoxy)methyl]propane-1,3-diyl bis(6-methylheptanoate)
데이터베이스 식별자
- CAS
70969-65-2- PubChem CID
- 3085442
- DTXSID
DTXSID10991273
물성
구조 계산 물성
- XLogP
- 14.2
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 44
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,030
화학 및 산업
용도 및 제조
General Manufacturing InformationIsooctanoic acid, 1,1'-[2-[[3-[(1-oxoisooctyl)oxy]-2,2-bis[[(1-oxoisooctyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] ester: INACTIVE
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