1-[4-(Hexyloxy)phenyl]pentan-1-one
Basic information
- CAS
93542-23-5- Standard SMILES
CCCCCCOc1ccc(C(=O)CCCC)cc1- InChIKey
AULSKRSYJPSLDA-UHFFFAOYSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Names & identifiers
- Preferred name
- 1-[4-(Hexyloxy)phenyl]pentan-1-one
- IUPAC
- 1-(4-hexoxyphenyl)pentan-1-one
Names & synonyms
93542-23-51-[4-(HEXYLOXY)PHENYL]PENTAN-1-ONESCHEMBL11041169DTXSID70710907
Database identifiers
- CAS
93542-23-5- PubChem CID
- 54371700
- DTXSID
DTXSID70710907- Nikkaji
- J1.918.977E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…