Basic information
- CAS
5458-27-5- Standard SMILES
CCCC(C)(C)COC(=O)CCOCC- InChIKey
KWRIZZPTSSEGSB-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl 3-ethoxypropanoate
- IUPAC
- 2,2-dimethylpentyl 3-ethoxypropanoate
Names & synonyms
5458-27-52,2-dimethylpentyl 3-ethoxypropanoateNSC23541DTXSID30281941NSC-23541
Database identifiers
- CAS
5458-27-5- PubChem CID
- 229702
- DTXSID
DTXSID30281941
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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