Basic information
- CAS
5421-10-3- Standard SMILES
CCCCC1(CC)COC(C)(CC)OC1- InChIKey
QLSZMHKPTJOLDJ-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- 5-Butyl-2,5-diethyl-2-methyl-1,3-dioxane
- IUPAC
- 5-butyl-2,5-diethyl-2-methyl-1,3-dioxane
Names & synonyms
5421-10-35-butyl-2,5-diethyl-2-methyl-1,3-dioxaneNSC6640DTXSID10969174NSC-6640
Database identifiers
- CAS
5421-10-3- PubChem CID
- 221685
- DTXSID
DTXSID10969174
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…