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
Basic information
- CAS
70969-65-2- Standard 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- Molecular formula
- C50H94O10
- Average molar mass
- 855.3 g/mol
- Monoisotopic mass
- 854.68469919
Names & identifiers
- Preferred name
- 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
Names & synonyms
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)
Database identifiers
- CAS
70969-65-2- PubChem CID
- 3085442
- DTXSID
DTXSID10991273
Properties
Computed structural properties
- XLogP
- 14.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 44
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,030
Chemistry & industry
Uses & manufacturing
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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