기본 정보
- CAS
68443-84-5- 표준 SMILES
CCCCC(CC)C(=O)OCC(COCC(COC(=O)CCCCCC(C)C)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC)(COC(=O)CCCCCC(C)C)COC(=O)CCCCCC(C)C- InChIKey
ATDCVWYXPQZTCI-UHFFFAOYSA-N- 분자식
- C61H112O13
- 평균 분자량
- 1,053.5 g/mol
- 단동위원소 질량
- 1,052.81029362
이름 및 식별자
- 우선 이름
- 2-((3-((2-Ethylhexanoyl)oxy)-2-(((2-ethylhexanoyl)oxy)methyl)-2-(((isononanoyl)oxy)methyl)propoxy)methyl)-2-(((2-ethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(isononanoate)
- IUPAC
- [2-[[2,2-bis(2-ethylhexanoyloxymethyl)-3-(7-methyloctanoyloxy)propoxy]methyl]-2-(2-ethylhexanoyloxymethyl)-3-(7-methyloctanoyloxy)propyl] 7-methyloctanoate
이름 및 동의어
2-((3-((2-ethylhexanoyl)oxy)-2-(((2-ethylhexanoyl)oxy)methyl)-2-(((isononanoyl)oxy)methyl)propoxy)methyl)-2-(((2-ethylhexanoyl)oxy)methyl)propane-1,3-diyl bis(isononanoate)UNII-EEZ17S1473EEZ17S1473EINECS 270-560-09375PQ417FEC 270-560-0Q27271569Dipentaerythritol, triisononanoate, tri-2-ethylhexanoateDIPENTAERYTHRITYL 1,2,1'-TRIS(2-ETHYLHEXANOATE)-3,2'3'-TRIS(ISONONANOATE)Isononanoic acid, triester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-1,3-propanediol) tris(2-ethylhexanoate)Triisononanoic acid, triester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol) tris(2-ethylhexanoate)
데이터베이스 식별자
- CAS
68443-84-5- PubChem CID
- 109384
- UNII
- 9375PQ417F
물성
구조 계산 물성
- XLogP
- 17.9
- 극성 표면적
- 167 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 55
- 무거운 원자 수
- 74
- 형식 전하
- 0
- 복잡도
- 1,410
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