Basic information
- CAS
15834-06-7- Standard SMILES
CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC- InChIKey
WISHAYXBCWYEPX-UHFFFAOYSA-N- Molecular formula
- C31H58O6
- Average molar mass
- 526.8 g/mol
- Monoisotopic mass
- 526.42333957
Names & identifiers
- Preferred name
- 2-Ethyl-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate
- IUPAC
- [2-(heptanoyloxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate
- English name
- 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate
- Molecular formula
- C31H58O6
- Molecular weight
- 526.79
Names & synonyms
15834-06-72-Ethyl-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate2-ETHYL-2-[[(1-OXOHEPTYL)OXY]METHYL]PROPANE-1,3-DIYL DINONAN-1-OATEEINECS 239-939-8[2-(heptanoyloxymethyl)-2-(nonanoyloxymethyl)butyl] nonanoate2-[(heptanoyloxy)methyl]-2-[(nonanoyloxy)methyl]butyl nonanoateWISHAYXBCWYEPX-UHFFFAOYSA-NSCHEMBL15024334DTXSID10166404NS00025145Trimethylolpropane ester of C7 and C9 acidsNonanoic acid,2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester
Show more names
Nonanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl esterBis(nonanoic acid)2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl esterNonanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester (9CI)
Database identifiers
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 29
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Boiling point
- 576.2 · 576.2±30.0 °C(Predicted)
- Density
- 0.956 · 0.956±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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