2-Butyl-2-methyl-1,3-dioxane
Basic information
- CAS
25683-00-5- Standard SMILES
CCCCC1(C)OCCCO1- InChIKey
NNCHGGCVERASKN-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 2-Butyl-2-methyl-1,3-dioxane
- IUPAC
- 2-butyl-2-methyl-1,3-dioxane
Names & synonyms
2-Butyl-2-methyl-1,3-dioxane25683-00-51,3-Dioxane, 2-butyl-2-methyl-SCHEMBL14778258DTXSID30948567
Database identifiers
- CAS
25683-00-5- PubChem CID
- 12296296
- DTXSID
DTXSID30948567
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 106
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Related reactions
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Compound notes
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