N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-(3-octylthiiran-2-yl)octanamide
Basic information
- CAS
50276-79-4- Standard SMILES
CCCCCCCCC1SC1CCCCCCCC(=O)NCCCOCCOCCOCC- InChIKey
QSCGTOHCCXQCCG-UHFFFAOYSA-N- Molecular formula
- C27H53NO4S
- Average molar mass
- 487.8 g/mol
- Monoisotopic mass
- 487.36953035
Names & identifiers
- Preferred name
- N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-(3-octylthiiran-2-yl)octanamide
- IUPAC
- N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-(3-octylthiiran-2-yl)octanamide
Names & synonyms
50276-79-4NSC 145935N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-(3-octylthiiran-2-yl)octanamiden-{3-[2-(2-ethoxyethoxy)ethoxy]propyl}-8-(3-octylthiiran-2-yl)octanamideN-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-8-(3-octyl-2-thiiranyl)octanamideNSC145935DTXSID30301698NSC-145935
Database identifiers
- CAS
50276-79-4- PubChem CID
- 286776
- DTXSID
DTXSID30301698
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 438
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Compound notes
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