Basic information
- CAS
7506-53-8- Standard SMILES
CCCC1OC(Cc2ccccc2)OCC1CC- InChIKey
GCPPYECFSKKQSM-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Overview
See also: 1,3-Dioxane, 5-ethyl-2-(phenylmethyl)-4-propyl- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Benzyl-5-ethyl-4-propyl-1,3-dioxane
- IUPAC
- 2-benzyl-5-ethyl-4-propyl-1,3-dioxane
- English name
- 2-benzyl-5-ethyl-4-propyl-1,3-dioxane
- Molecular formula
- C16H24O2
- Molecular weight
- 248.36056
Names & synonyms
2-Benzyl-5-ethyl-4-propyl-1,3-dioxane7506-53-8NSC25468EINECS 231-359-3DTXSID10996561GCPPYECFSKKQSM-UHFFFAOYSA-NNSC 25468NSC-25468NSC405540NSC 405540NSC-405540NS00047005
Database identifiers
- CAS
7506-53-8- PubChem CID
- 95246
- DTXSID
DTXSID10996561- EC Number
- 231-359-3
- Nikkaji
- J307.849C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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