11-(p-Tolyloxy)undecyl 3-mercaptopropioate
Basic information
- Standard SMILES
Cc1ccc(OCCCCCCCCCCCOC(=O)CCS)cc1- InChIKey
LZRDJVPMXXZCMO-UHFFFAOYSA-N- Molecular formula
- C21H34O3S
- Average molar mass
- 366.6 g/mol
Names & identifiers
- Preferred name
- 11-(p-Tolyloxy)undecyl 3-mercaptopropioate
- IUPAC
- 11-(4-methylphenoxy)undecyl 3-sulfanylpropanoate
Names & synonyms
SCHEMBL2802858LZRDJVPMXXZCMO-UHFFFAOYSA-N11-(p-tolyloxy)undecyl 3-mercaptopropioate
Database identifiers
- PubChem CID
- 86645552
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 314
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…