Basic information
- CAS
62071-15-2- Standard SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOc1ccc(C(=O)O)s1- InChIKey
HGYAZLRLOGHSGN-UHFFFAOYSA-N- Molecular formula
- C25H44O3S
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.30111627
Names & identifiers
- Preferred name
- 5-[(3,7,11,15-Tetramethylhexadecyl)oxy]thiophene-2-carboxylic acid
- IUPAC
- 5-(3,7,11,15-tetramethylhexadecoxy)thiophene-2-carboxylic acid
Names & synonyms
62071-15-2SCHEMBL11714041DTXSID60613953HGYAZLRLOGHSGN-UHFFFAOYSA-N5-[(3,7,11,15-TETRAMETHYLHEXADECYL)OXY]THIOPHENE-2-CARBOXYLIC ACID5-(3,7,11,15-Tetramethylhexadecyloxy)-2-thiophenecarboxylic acid
Database identifiers
- CAS
62071-15-2- PubChem CID
- 21441815
- DTXSID
DTXSID60613953
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 426
Related reactions
3 records
Compound notes
Loading…