Basic information
- CAS
70969-64-1- Standard SMILES
CCCCCCCC(=O)OCC(C)(CC)COC(=O)CCCCC(C)C- InChIKey
HYQSRPWWFPRCPW-UHFFFAOYSA-N- Molecular formula
- C22H42O4
- Average molar mass
- 370.6 g/mol
- Monoisotopic mass
- 370.30830982
Names & identifiers
- Preferred name
- Isooctanoic acid, 1,1'-(2-ethyl-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) ester
- IUPAC
- [2-methyl-2-(6-methylheptanoyloxymethyl)butyl] octanoate
Names & synonyms
Trimethylolpropane triisooctanoateTrimethylolpropane, triisooctanoate70969-64-1Isooctanoic acid, 2-ethyl-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl esterIsooctanoic acid, 1,1'-(2-ethyl-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) esterIsooctanoic acid, 1,1'-[2-ethyl-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] esterRefChem:149653DTXSID50991272HYQSRPWWFPRCPW-UHFFFAOYSA-N2-METHYL-2-{[(6-METHYLHEPTANOYL)OXY]METHYL}BUTYL OCTANOATE
Database identifiers
- CAS
70969-64-1- PubChem CID
- 3085441
- DTXSID
DTXSID50991272
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 378
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIsooctanoic acid, 1,1'-[2-ethyl-2-[[(1-oxoisooctyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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