5-Ethyl-4-propyl-1,3-dioxane
Basic information
- CAS
6309-45-1- Standard SMILES
CCCC1OCOCC1CC- InChIKey
LDPAXRKRMWLREH-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 5-Ethyl-4-propyl-1,3-dioxane
- IUPAC
- 5-ethyl-4-propyl-1,3-dioxane
Names & synonyms
5-ethyl-4-propyl-1,3-dioxane6309-45-1NSC42563SCHEMBL11185015DTXSID40285652NSC-42563DS-008955
Database identifiers
- CAS
6309-45-1- PubChem CID
- 238261
- DTXSID
DTXSID40285652
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
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Compound notes
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