Basic information
- CAS
68310-54-3- Standard SMILES
CCC(C)CCCC(C)C(=O)OCC(C)CC- InChIKey
XXCVUICCRSSVRS-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- 2-Methylbutyl 2,6-dimethyloctanoate
- IUPAC
- 2-methylbutyl 2,6-dimethyloctanoate
Names & synonyms
DTXSID20987844XXCVUICCRSSVRS-UHFFFAOYSA-N2-Methylbutyl 2,6-dimethyloctanoate
Database identifiers
- CAS
68310-54-3- PubChem CID
- 109293
- DTXSID
DTXSID20987844
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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