Basic information
- CAS
7499-55-0- Standard SMILES
Cc1cc(C)c(C)c(C(=O)OCC(C)(C)C)c1C- InChIKey
WVOJUBWOSLBWCW-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- Neopentyl 2,3,5,6-tetramethylbenzoate
- IUPAC
- 2,2-dimethylpropyl 2,3,5,6-tetramethylbenzoate
Names & synonyms
Neopentyl 2,3,5,6-tetramethylbenzoate7499-55-0ZZ49Z7P8ESUNII-ZZ49Z7P8ESNSC 407672NSC-407672DTXSID10225949BENZOIC ACID, 2,3,5,6-TETRAMETHYL-, 2,2-DIMETHYLPROPYL ESTERRefChem:165326DTXCID901484402,2-dimethylpropyl 2,3,5,6-tetramethylbenzoateNSC407672
Show more names
WVOJUBWOSLBWCW-UHFFFAOYSA-NNeopentyl 2,3,5,6-tetramethylbenzoate #2,3,5,6-Tetramethylbenzoic acid, t-butylmethyl(ester)
Database identifiers
- CAS
7499-55-0- PubChem CID
- 348397
- DTXSID
DTXSID10225949- UNII
- ZZ49Z7P8ES
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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