Basic information
- CAS
22645-27-8- Standard SMILES
CCC1COC(C(C)C)OC1- InChIKey
LOVWNVWPXIBGIX-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 5-Ethyl-2-(propan-2-yl)-1,3-dioxane
- IUPAC
- 5-ethyl-2-propan-2-yl-1,3-dioxane
- English name
- 5β-Ethyl-2α-isopropyl-1,3-dioxane
- Molecular formula
- C9H18O2
- Molecular weight
- 158.239
Names & synonyms
22645-27-8DTXSID709453135-ethyl-2-(propan-2-yl)-1,3-dioxaneRefChem:1072864DTXCID901373633cis-5-Ethyl-2-isopropyl-1,3-dioxanetrans-5-Ethyl-2-isopropyl-1,3-dioxanem-DIOXANE, 5-ETHYL-2-ISOPROPYL-, (Z)-m-DIOXANE, 5-ETHYL-2-ISOPROPYL-, (E)-5beta-Ethyl-2alpha-isopropyl-1,3-dioxane23791-89-1
Database identifiers
- CAS
22645-27-8、23791-89-1- PubChem CID
- 31463
- DTXSID
DTXSID70945313- Nikkaji
- J73.732A、J73.733J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…