2-tert-Butyl-1,3-dioxane
Basic information
- CAS
7560-76-1- Standard SMILES
CC(C)(C)C1OCCCO1- InChIKey
IEIPIEQZEBWQNY-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 2-tert-Butyl-1,3-dioxane
- IUPAC
- 2-tert-butyl-1,3-dioxane
Names & synonyms
2-tert-Butyl-1,3-dioxanem-Dioxane, 2-tert-butyl-7560-76-1NSC-193332NSC1933321,3-Dioxane, 2-(1,1-dimethylethyl)-2-t-butyl-1,3-dioxane2-tert-Butyl-[1,3]dioxane8U3G4AF7L6SCHEMBL9368053SCHEMBL10130554DTXSID10307597
Show more names
2-(1,1-DIMETHYLETHYL)-1,3-DIOXANEInChI=1/C8H16O2/c1-8(2,3)7-9-5-4-6-10-7/h7H,4-6H2,1-3H
Database identifiers
- CAS
7560-76-1- PubChem CID
- 303696
- DTXSID
DTXSID10307597- UNII
- 8U3G4AF7L6
- Nikkaji
- J150.555F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.3
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
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Compound notes
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