tert-butyl 3-(3-(1-allyl-1H-tetrazol-5-yl)phenethoxy)propanoate
Basic information
- Standard SMILES
C=CCn1nnnc1-c1cccc(CCOCCC(=O)OC(C)(C)C)c1- InChIKey
UCIXCCSUYORPPL-UHFFFAOYSA-N- Molecular formula
- C19H26N4O3
- Average molar mass
- 358.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-(3-(1-allyl-1H-tetrazol-5-yl)phenethoxy)propanoate
- IUPAC
- tert-butyl 3-[2-[3-(1-prop-2-enyltetrazol-5-yl)phenyl]ethoxy]propanoate
Names & synonyms
SCHEMBL1558557UCIXCCSUYORPPL-UHFFFAOYSA-Ntert-butyl 3-(3-(1-allyl-1H-tetrazol-5-yl)phenethoxy)propanoate
Database identifiers
- PubChem CID
- 59290403
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
1 records
Compound notes
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