4-Butoxyphenyl 4-[(pent-4-enoyl)oxy]benzoate
Basic information
- CAS
115152-75-5- Standard SMILES
C=CCCC(=O)Oc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1- InChIKey
RMPZZRINSYOXRR-UHFFFAOYSA-N- Molecular formula
- C22H24O5
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.16237386
Names & identifiers
- Preferred name
- 4-Butoxyphenyl 4-[(pent-4-enoyl)oxy]benzoate
- IUPAC
- (4-butoxyphenyl) 4-pent-4-enoyloxybenzoate
Names & synonyms
DTXSID3012249154-Butoxyphenyl 4-[(pent-4-enoyl)oxy]benzoate4-Butoxyphenyl 4-[(1-oxo-4-penten-1-yl)oxy]benzoate115152-75-5
Database identifiers
- CAS
115152-75-5- PubChem CID
- 85555819
- DTXSID
DTXSID301224915
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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