2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester
Basic information
- CAS
5556-17-2- Standard SMILES
CCOC(=O)c1cc(OC(C)(C)C)c(OC(C)(C)C)s1- InChIKey
WEXXLHYSWDSYAR-UHFFFAOYSA-N- Molecular formula
- C15H24O4S
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.13953042
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl ester
- IUPAC
- ethyl 4,5-bis[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate
- English name
- 4,5-Di-tert-butoxy-2-thiophenecarboxylic acid ethyl ester
- Molecular formula
- C15H24O4S
- Molecular weight
- 300.41
Names & synonyms
2-Thiophenecarboxylic acid, 4,5-di-tert-butoxy-, ethyl esterDTXSID00345468WEXXLHYSWDSYAR-UHFFFAOYSA-Nethyl 4,5-bis[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate5556-17-2Ethyl 4,5-di-tert-butoxythiophene-2-carboxylateEthyl 4,5-ditert-butoxy-2-thiophenecarboxylate #4,5-Di-tert-butoxy-2-thiophenecarboxylic acid ethyl ester2-Thiophenecarboxylic acid, 4,5-bis(1,1-dimethylethoxy)-, ethyl ester
Database identifiers
- CAS
5556-17-2- PubChem CID
- 604659
- DTXSID
DTXSID00345468- Nikkaji
- J104.057J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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