Basic information
- Standard SMILES
CCCC1c2cc(OC)ccc2C(=O)C1CCC1(CC)OCCO1- InChIKey
MUIWBQCODJPSNL-UHFFFAOYSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 2-[2-(2-Ethyl-[1,3]dioxolan-2-yl)-ethyl]-5-methoxy-3-propyl-1-indanone
- IUPAC
- 2-[2-(2-ethyl-1,3-dioxolan-2-yl)ethyl]-5-methoxy-3-propyl-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL2419632MUIWBQCODJPSNL-UHFFFAOYSA-N2-[2-(2-ethyl-[1,3]dioxolan-2-yl)-ethyl]-5-methoxy-3-propyl-1-indanone
Database identifiers
- PubChem CID
- 21990853
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
Related reactions
2 records
Compound notes
Loading…