2,3,4-Trimethyl-2-cyclopentenone - CAS 28790-86-5
Catalog: |
BB057145 |
Product Name: |
2,3,4-Trimethyl-2-cyclopentenone |
CAS: |
28790-86-5 |
Synonyms: |
2,3,4-Trimethyl-2-cyclopenten-1-one |
IUPAC Name: | 2,3,4-trimethylcyclopent-2-en-1-one |
Description: | 2,3,4-Trimethyl-2-cyclopentenone, is an intermediate that can be used in various chemical synthesis. It is used for the synthesis of cyclic saturated compounds. |
Molecular Weight: | 124.18 |
Molecular Formula: | C8H12O |
Canonical SMILES: | CC1CC(=O)C(=C1C)C |
InChI: | InChI=1S/C8H12O/c1-5-4-8(9)7(3)6(5)2/h5H,4H2,1-3H3 |
InChI Key: | QJQNTXCURBPBOK-UHFFFAOYSA-N |
References: | Mironov, V. A.. et al. Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 10, 2253 (1971). |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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