Basic information
- CAS
53907-91-8- Standard SMILES
CCC1COC(C)CO1- InChIKey
DPXGZEPGOMVZDJ-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 2-Ethyl-5-methyl-1,4-dioxane
- IUPAC
- 2-ethyl-5-methyl-1,4-dioxane
- English name
- 2-Ethyl-5-methyl-1,4-dioxane
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
2-ETHYL-5-METHYL-1,4-DIOXANE53907-91-81,4-Dioxane, 2-ethyl-5-methyl-SCHEMBL13667530DTXSID60968697DPXGZEPGOMVZDJ-UHFFFAOYSA-N2-Ethyl-5-methyl-1,4-dioxane #DB-314023EN300-7611812
Database identifiers
- CAS
53907-91-8- PubChem CID
- 40924
- DTXSID
DTXSID60968697- Nikkaji
- J100.407G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 160.5 · 160.5±8.0 °C(Predicted)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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