3-Butoxy-4-tert-butylphenyl tert-butyl carbonate
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Basic information
- Standard SMILES
CCCCOc1cc(OC(=O)OC(C)(C)C)ccc1C(C)(C)C- InChIKey
TWMJOSGSQBWOHK-UHFFFAOYSA-N- Molecular formula
- C19H30O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.21440943
Names & identifiers
- Preferred name
- 3-Butoxy-4-tert-butylphenyl tert-butyl carbonate
- IUPAC
- (3-butoxy-4-tert-butylphenyl) tert-butyl carbonate
Names & synonyms
SCHEMBL4641997TWMJOSGSQBWOHK-UHFFFAOYSA-N3-butoxy-4-tert-butylphenyl tert-butyl carbonate
Database identifiers
- PubChem CID
- 21097482
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 365
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Related reactions
2 records
Compound notes
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