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ethyl 5-decyl-2H-tetrazole-2-acetate (HCID 54021180)|Huagongshe
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Compound
ethyl 5-decyl-2H-tetrazole-2-acetate
HCID
54021180
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCCCCCCCCCc1nnn(CC(=O)OCC)n1
InChIKey
KZAJBFIAOCMJCJ-UHFFFAOYSA-N
Molecular formula
C15H28N4O2
Average molar mass
296.41 g/mol
Names & identifiers
Preferred name
ethyl 5-decyl-2H-tetrazole-2-acetate
IUPAC
ethyl 2-(5-decyltetrazol-2-yl)acetate
Names & synonyms
SCHEMBL7510078
KZAJBFIAOCMJCJ-UHFFFAOYSA-N
ethyl 5-decyl-2H-tetrazole-2-acetate
Database identifiers
PubChem CID
54021180
Properties
Computed structural properties
XLogP
5.5
Topological polar surface area
69.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
21
Formal charge
0
Complexity
276
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
264070
As reactant
uspto-grants-1997_07
HRID
1233587
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1756926
As reactant
uspto-grants-1995_08
HRID
1938689
As reactant
uspto-grants-1997_12
HRID
2380475
As reactant
uspto-grants-1994_11
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Compound notes
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