4-[4-(2-Methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]butyraldehyde
Basic information
- Standard SMILES
Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC=O- InChIKey
CYBZAJGPQMZPTL-UHFFFAOYSA-N- Molecular formula
- C14H18N4O2
- Average molar mass
- 274.32 g/mol
Names & identifiers
- Preferred name
- 4-[4-(2-Methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]butyraldehyde
- IUPAC
- 4-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]butanal
Names & synonyms
SCHEMBL8661865CYBZAJGPQMZPTL-UHFFFAOYSA-N4-[4-(2-methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]butyraldehyde
Database identifiers
- PubChem CID
- 19082056
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Related reactions
2 records
Compound notes
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