Ethyl 5-(1,1-dimethylethoxy)-2-thiophenecarboxylate
Basic information
- CAS
55162-42-0- Standard SMILES
CCOC(=O)c1ccc(OC(C)(C)C)s1- InChIKey
LWHFJKSSHUVMNU-UHFFFAOYSA-N- Molecular formula
- C11H16O3S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.08201554
Names & identifiers
- Preferred name
- Ethyl 5-(1,1-dimethylethoxy)-2-thiophenecarboxylate
- IUPAC
- ethyl 5-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylate
- English name
- 5-tert-Butoxy-2-thiophenecarboxylic acid ethyl ester
- Molecular formula
- C11H16O3S
- Molecular weight
- 228.31
Names & synonyms
55162-42-0Ethyl 5-(1,1-dimethylethoxy)-2-thiophenecarboxylateRefChem:3441352-Thiophenecarboxylic acid, 5-(1,1-dimethylethoxy)-, ethyl ester5-tert-Butoxy-2-thiophenecarboxylic acid ethyl esterLWHFJKSSHUVMNU-UHFFFAOYSA-NDTXSID101221846Ethyl 5-tert-butoxythiophene-2-carboxylateDB-317815Ethyl 5-tert-butoxy-2-thiophenecarboxylate #
Database identifiers
- CAS
55162-42-0- PubChem CID
- 545454
- DTXSID
DTXSID101221846- Nikkaji
- J104.734E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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