2-Methyloxetane - CAS 2167-39-7
Catalog: |
BB060065 |
Product Name: |
2-Methyloxetane |
CAS: |
2167-39-7 |
Synonyms: |
1,3-Epoxybutane; (±)-2-Methyloxetane; 1-Methyltrimethylene Oxide; 2-Methyloxetan |
IUPAC Name: | 2-methyloxetane |
Description: | 2-Methyloxetane is a derivative of oxetane which has been increasingly exploited for its contrasting behaviours; such as its influence on physicochemistry properties as a stable motif in medicinal chemistry and its propensity to undergo ring-opening reactions as a synthetic intermediate. |
Molecular Weight: | 72.11 |
Molecular Formula: | C4H8O |
Canonical SMILES: | CC1CCO1 |
InChI: | InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3 |
InChI Key: | FZIIBDOXPQOKBP-UHFFFAOYSA-N |
References: | Bull, J.A., et al. Chem. Rev., 116, 12150-12233 (2016). |
Stability: | Liquids are relatively stable |
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Complexity: | 34.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 72.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 72.057514874 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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