Basic information
- CAS
22014-02-4- Standard SMILES
CCOC(=O)C(=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC- InChIKey
CZCRNTZQHFDOBY-UHFFFAOYSA-N- Molecular formula
- C22H32O5
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.22497412
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedioate
- IUPAC
- diethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedioate
- English name
- Propanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, 1,3-diethyl ester
- Molecular formula
- C22H32O5
- Molecular weight
- 376.49
Names & synonyms
22014-02-41,3-Diethyl 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedioate1,3-Diethyl 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)propanedioateRefChem:218487SCHEMBL3249619diethyl 2-(3,5-di-t-butyl-4-hydroxybenzylidene)malonateDTXSID901130968AKOS0244296612-(3,5-di-tert-butyl-4-hydroxy-benzylidene)-malonic acid diethyl esterDiethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedioatePropanedioic acid, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-, 1,3-diethyl ester
Database identifiers
- CAS
22014-02-4- PubChem CID
- 4064019
- DTXSID
DTXSID901130968- Nikkaji
- J519.660D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Melting point
- 114 · 114-116 °C(Solv: ethanol (64-17-5))
- Boiling point
- 421.2 · 421.2±40.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.70(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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