Basic information
- CAS
35231-88-0- Standard SMILES
Cc1cccc(C(=O)O)c1OC(=O)C(C)(C)CC(C)(C)C- InChIKey
LIKVLPPQQFOMTB-UHFFFAOYSA-N- Molecular formula
- C17H24O4
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.16745924
Names & identifiers
- Preferred name
- Benzoic acid, 3-methyl-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
- IUPAC
- 3-methyl-2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid
Names & synonyms
BRN 275306935231-88-0Benzoic acid, 3-methyl-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-3-Methyl-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)benzoic acidDTXSID30188724RefChem:327237DTXCID901112153-methyl-2-[(2,2,4,4-tetramethylpentanoyl)oxy]benzoic acid
Database identifiers
- CAS
35231-88-0- PubChem CID
- 215213
- DTXSID
DTXSID30188724
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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