Ethyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
Basic information
- CAS
5333-98-2- Standard SMILES
CCOC(=O)CCC(=O)c1ccc2c(c1)CCCC2- InChIKey
PHAAGPQAOYFUBK-UHFFFAOYSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- Ethyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
- IUPAC
- ethyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
Names & synonyms
5333-98-2ethyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoateNSC2370DTXSID80967940NSC-2370ethyl 4-oxo-4-(5,6,7,8-tetrahydro-2-naphthalenyl)butanoate3-(5,7,8-TETRAHYDRO-2-NAPHTHOYL)PROPIONIC ACID, ETHYL ESTER
Database identifiers
- CAS
5333-98-2- PubChem CID
- 220097
- DTXSID
DTXSID80967940
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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