Basic information
- CAS
53778-62-4- Standard SMILES
CCC1OCC1C- InChIKey
ANULSIHYRBSZSF-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2-Ethyl-3-methyloxetane
- IUPAC
- 2-ethyl-3-methyloxetane
- English name
- 2-ethyl-3-methyl-oxetane
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-ETHYL-3-METHYLOXETANE53778-62-4DTXSID80968558RefChem:1063043DTXCID5013961322-ETHYL-3-METHYL-OXETANEOxetane, 2-ethyl-3-methyl-2-Ethyl-3-methyloxetane #SCHEMBL486164SCHEMBL10277415SCHEMBL28290626ANULSIHYRBSZSF-UHFFFAOYSA-N
Show more names
DB-314005
Database identifiers
- CAS
53778-62-4- PubChem CID
- 40894
- DTXSID
DTXSID80968558- Nikkaji
- J100.735A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.2
Physicochemical properties
- Boiling point
- 106.9 · 106.9±8.0 °C(Predicted)
- Density
- 0.837 · 0.837±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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