4-[4-(2-Methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]butyraldehyde

HCID 19082056
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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

Related reactions

2 records
New reaction record

Linked notes

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