Basic information
- CAS
61920-26-1- Standard SMILES
CCCC1OCC(C)(C)C(C(C)C)O1- InChIKey
LVCAJTBONRFTQB-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 5,5-Dimethyl-4-(propan-2-yl)-2-propyl-1,3-dioxane
- IUPAC
- 5,5-dimethyl-4-propan-2-yl-2-propyl-1,3-dioxane
Names & synonyms
61920-26-15,5-dimethyl-4-(propan-2-yl)-2-propyl-1,3-dioxaneNSC23496DTXSID50281923NSC44735NSC-23496NSC-44735
Database identifiers
- CAS
61920-26-1- PubChem CID
- 229665
- DTXSID
DTXSID50281923
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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