2-Isopropyloxetane
Basic information
- CAS
15045-60-0- Standard SMILES
CC(C)C1CCO1- InChIKey
RIELPFLYWOXARA-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- 2-Isopropyloxetane
- IUPAC
- 2-propan-2-yloxetane
- English name
- 2-Isopropyloxetane
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-IsopropyloxetanePentane, 1,3-epoxy-4-methyl-15045-60-0DTXSID20336914RefChem:262358DTXCID40288002RIELPFLYWOXARA-UHFFFAOYSA-N2-propan-2-yloxetane2-(propan-2-yl)oxetane2-Isopropyloxetane #SCHEMBL801070SCHEMBL2903732
Show more names
Oxetane, 2-(1-methylethyl)-
SCHEMBL2910625SCHEMBL5550239
Database identifiers
- CAS
15045-60-0- PubChem CID
- 537236
- DTXSID
DTXSID20336914- Nikkaji
- J100.734C
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
- 59.2
Physicochemical properties
- Boiling point
- 99.6 · 99.6±8.0 °C(Predicted)
- Density
- 0.877 · 0.877±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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