Basic information
- Standard SMILES
CCCCCCCCCC(=O)c1ccc(C(C)C)c(OS(N)(=O)=O)c1C(C)C- InChIKey
DXHYZVZSMDLNBQ-UHFFFAOYSA-N- Molecular formula
- C22H37NO4S
- Average molar mass
- 411.6 g/mol
Names & identifiers
- Preferred name
- Sulfamic acid (decanoyl)-2,6-bis(1-methylethyl)phenyl ester
- IUPAC
- [3-decanoyl-2,6-di(propan-2-yl)phenyl] sulfamate
Names & synonyms
SCHEMBL7207628DXHYZVZSMDLNBQ-UHFFFAOYSA-Nsulfamic acid (decanoyl)-2,6-bis(1-methylethyl)phenyl estersulfamic acid (decanoyl)-2,6-bis-(1-methylethyl)phenyl ester
Database identifiers
- PubChem CID
- 10201701
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
Loading…