2-Tert-butyl-2-methyl-1,3-dioxane
Basic information
- CAS
28898-66-0- Standard SMILES
CC(C)(C)C1(C)OCCCO1- InChIKey
IHDCUPIDUJJYCI-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 2-Tert-butyl-2-methyl-1,3-dioxane
- IUPAC
- 2-tert-butyl-2-methyl-1,3-dioxane
Names & synonyms
28898-66-02-tert-butyl-2-methyl-1,3-dioxaneNSC193321SCHEMBL14370710DTXSID70307593NSC-193321
Database identifiers
- CAS
28898-66-0- PubChem CID
- 303690
- DTXSID
DTXSID70307593
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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