Basic information
- CAS
6326-90-5- Standard SMILES
CCOC(=O)CCCc1ccc2ccccc2c1- InChIKey
XEASVXBNYREWCU-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- Ethyl 4-(2-naphthyl)butanoate
- IUPAC
- ethyl 4-naphthalen-2-ylbutanoate
Names & synonyms
ETHYL 4-(NAPHTHALEN-2-YL)BUTANOATE6326-90-5Ethyl 4-(2-naphthyl)butanoateNSC31356Ehtyl 3-[2-naphthyl]butyrateSCHEMBL6771529DTXSID30283420XEASVXBNYREWCU-UHFFFAOYSA-NEthyl 4-(2-naphthyl)butanoate #NSC-31356
Database identifiers
- CAS
6326-90-5- PubChem CID
- 233196
- DTXSID
DTXSID30283420- Nikkaji
- J1.081.229A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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