Basic information
- CAS
61666-29-3- Standard SMILES
Cc1cccc(C)c1OC(=O)C(C)(C)C- InChIKey
VLCQBDFUHYJXBA-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 2,6-Dimethylphenyl 2,2-dimethylpropanoate
- IUPAC
- (2,6-dimethylphenyl) 2,2-dimethylpropanoate
Names & synonyms
2,6-Dimethylphenyl 2,2-dimethylpropanoate61666-29-3DTXSID40501329RefChem:248543DTXCID304521392,6-dimethylphenyl pivalatePropanoic acid, 2,2-dimethyl-, 2,6-dimethylphenyl ester(2,6-dimethylphenyl) 2,2-dimethylpropanoateF70485
Database identifiers
- CAS
61666-29-3- PubChem CID
- 12525083
- DTXSID
DTXSID40501329- Nikkaji
- J1.605.634K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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