Basic information
- CAS
32347-12-9- Standard SMILES
CC1OC(C)C1C- InChIKey
HTCOCLGRYILICZ-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2,3,4-Trimethyloxetane
- IUPAC
- 2,3,4-trimethyloxetane
- English name
- 2β,3β,4α-Trimethyloxetane
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2,3,4-TRIMETHYLOXETANEOxetane, 2,3,4-trimethyl-, (2.alpha.,3.alpha.,4.beta.)-32347-12-953778-61-32,3,4-Trimethyloxetane #SCHEMBL10420591DTXSID90880797HTCOCLGRYILICZ-UHFFFAOYSA-NNS00096142Pentane, 2,4-epoxy-3-methyl-, stereoisomerOxetane, 2,3,4-trimethyl-, (2alpha,3alpha,4beta)-Oxetane, 2,3,4-trimethyl-
Show more names
2β,3β,4α-Trimethyloxetane
Database identifiers
- CAS
32347-12-9、53778-61-3- PubChem CID
- 40893
- DTXSID
DTXSID90880797- Nikkaji
- J100.733E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.6
Physicochemical properties
- Boiling point
- 93.4 · 93.4±8.0 °C(Predicted)
- Density
- 0.821 · 0.821±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…