4-Methyl-2-isopropyl-1,3-dioxane
Basic information
- CAS
70656-78-9- Standard SMILES
CC1CCOC(C(C)C)O1- InChIKey
ZLOYAACRUBLTLP-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 4-Methyl-2-isopropyl-1,3-dioxane
- IUPAC
- 4-methyl-2-propan-2-yl-1,3-dioxane
Names & synonyms
70656-78-95702-50-14-methyl-2-isopropyl-1,3-dioxaneNSC193329DTXSID10990887NSC-1933294-methyl-2-(propan-2-yl)-1,3-dioxaneDB-116847
Database identifiers
- CAS
70656-78-9- PubChem CID
- 303695
- DTXSID
DTXSID10990887
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
- 101
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Compound notes
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