Basic information
- Standard SMILES
CCOC(=O)C(=O)C1C(=O)c2cccc3c2C1CCC3- InChIKey
LYYPVACJOBQIQE-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxalyl-2a,3,4,5-tetrahydroacenaphthen-1-one
- IUPAC
- ethyl 2-oxo-2-(2-oxo-6,7,8,8a-tetrahydro-1H-acenaphthylen-1-yl)acetate
Names & synonyms
SCHEMBL10523210LYYPVACJOBQIQE-UHFFFAOYSA-N2-ethoxalyl-2a,3,4,5-tetrahydro-acenaphthen-1-one2-ethoxalyl-2a,3,4,5-tetrahydroacenaphthen-1-one
Database identifiers
- PubChem CID
- 20030171
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 442
Related reactions
3 records
Compound notes
Loading…