2-[(Acetyloxy)methyl]-2-ethylhexyl acetate
Basic information
- CAS
22876-39-7- Standard SMILES
CCCCC(CC)(COC(C)=O)COC(C)=O- InChIKey
IMLLXJLPENSGTR-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- 2-[(Acetyloxy)methyl]-2-ethylhexyl acetate
- IUPAC
- [2-(acetyloxymethyl)-2-ethylhexyl] acetate
Names & synonyms
22876-39-72-[(acetyloxy)methyl]-2-ethylhexyl acetateNSC67287SCHEMBL30010780DTXSID30290194NSC-67287
Database identifiers
- CAS
22876-39-7- PubChem CID
- 249226
- DTXSID
DTXSID30290194
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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