Basic information
- Standard SMILES
CCCCCOc1cc2c(cc1OCc1cccc(C(=O)OC)c1)C(=O)CC2- InChIKey
KOIKKBRDXVRUPU-UHFFFAOYSA-N- Molecular formula
- C23H26O5
- Average molar mass
- 382.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(3-oxo-6-pentyloxyindan-5-yloxymethyl)benzoate
- IUPAC
- methyl 3-[(3-oxo-6-pentoxy-1,2-dihydroinden-5-yl)oxymethyl]benzoate
Names & synonyms
SCHEMBL2932501KOIKKBRDXVRUPU-UHFFFAOYSA-NMethyl 3-(3-oxo-6-pentyloxyindan-5-yloxymethyl)benzoate
Database identifiers
- PubChem CID
- 57458787
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
Loading…