O-Allyl OO-tert-butylperfumarate
Basic information
- CAS
52345-51-4- Standard SMILES
C=CCOC(=O)/C=C/C(=O)OOC(C)(C)C- InChIKey
ZPVRKKIWIZMFSM-VOTSOKGWSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- O-Allyl OO-tert-butylperfumarate
- IUPAC
- prop-2-enyl (E)-4-tert-butylperoxy-4-oxobut-2-enoate
Names & synonyms
O-Allyl OO-tert-butylperfumarate52345-51-4
Database identifiers
- CAS
52345-51-4- PubChem CID
- 5463271
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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