Basic information
- CAS
57846-31-8- Standard SMILES
CCOC(=O)Cn1c(C)c(CC(=O)OC(C)(C)C)c2cc(OC)ccc21- InChIKey
SLPRWHYDYQOSGZ-UHFFFAOYSA-N- Molecular formula
- C20H27NO5
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.18892296
Names & identifiers
- Preferred name
- Indole-1,3-diacetic acid, 5-methoxy-2-methyl-, 3-tert-butyl 1-ethyl ester
- IUPAC
- tert-butyl 2-[1-(2-ethoxy-2-oxoethyl)-5-methoxy-2-methylindol-3-yl]acetate
Names & synonyms
BRN 0448118INDOLE-1,3-DIACETIC ACID, 5-METHOXY-2-METHYL-, 3-tert-BUTYL 1-ETHYL ESTER57846-31-8DTXSID702065575-Methoxy-2-methylindole-1,3-diacetic acid 3-tert-butyl 1-ethyl esterRefChem:349289DTXCID00129048tert-butyl ethyl 2,2'-(5-methoxy-2-methyl-1H-indole-1,3-diyl)diacetate
Database identifiers
- CAS
57846-31-8- PubChem CID
- 42587
- DTXSID
DTXSID70206557
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…