5-(2-Butyloctyl)thiophene-2-carbaldehyde
Basic information
- CAS
1907692-63-0- Standard SMILES
CCCCCCC(CCCC)Cc1ccc(C=O)s1- InChIKey
XNFXHFJQXANXIJ-UHFFFAOYSA-N- Molecular formula
- C17H28OS
- Average molar mass
- 280.5 g/mol
- Monoisotopic mass
- 280.18608669
Names & identifiers
- Preferred name
- 5-(2-Butyloctyl)thiophene-2-carbaldehyde
- IUPAC
- 5-(2-butyloctyl)thiophene-2-carbaldehyde
- English name
- 2-Thiophenecarboxaldehyde, 5-(2-butyloctyl)-
- Molecular formula
- C17H28OS
- Molecular weight
- 280.47
Names & synonyms
5-(2-Butyloctyl)thiophene-2-carbaldehyde1907692-63-0Th48a-CHO2-Thiophenecarboxaldehyde, 5-(2-butyloctyl)-
Database identifiers
- CAS
1907692-63-0- PubChem CID
- 168446814
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 382.6 · 382.6±30.0 °C(Predicted)
- Density
- 0.971 · 0.971±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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